Molecular Properties | |
SMILES: | C=CC(=O)Nc1c(C)cccc1CC(=O)Nc1cccnc1Cl |
MW: | 329.787 |
Fraction sp3: | 0.12 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 71.09 |
cLogP: | 3.34912 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-04-17 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
2-halo pyridine
α-Halogen substituted N-heterocycles
Filter94_2_halo_pyridine
2-chloropyridine
2-halopyridine
halo-pyridine,_-diazoles_and_-triazoles
AAR-POS-d2a4d1df-11
AGN-NEW-cce853d0-3
0.610
AGN-NEW-cce853d0-2
0.531
MAK-UNK-a7b37c5e-3
0.452
AAR-POS-0daf6b7e-20
0.441
MAR-TRE-9c797165-96
0.386
SID-ELM-8b394441-4
0.370
SID-ELM-8b394441-3
0.364
MAR-TRE-7f7bb9f0-61
0.360
MAR-TRE-7f7bb9f0-55
0.355
MAR-TRE-3e4e6814-63
0.352
MAR-TRE-3e4e6814-41
0.344
MAR-TRE-f6f5f473-30
0.344
MAR-TRE-d0525fbf-83
0.333
MAR-TRE-9c797165-49
0.330
MAR-TRE-67513f76-54
0.326
MAR-TRE-d0525fbf-93
0.326
MAR-TRE-9c797165-27
0.323
MAR-TRE-7f7bb9f0-48
0.320
MAR-TRE-7f7bb9f0-42
0.320
AGN-NEW-c7b24fe3-1
0.318
EDG-MED-0da5ad92-14
0.318
AGN-NEW-c7b24fe3-2
0.315
DAR-DIA-2b784ede-7
0.314
MAR-TRE-7f7bb9f0-23
0.314
DAR-DIA-2b784ede-9
0.311
MAR-TRE-3e4e6814-95
0.310
MAR-TRE-9c797165-42
0.305
MAR-TRE-74c6519b-44
0.304
LON-WEI-b8d98729-42
0.303
DAR-DIA-2b784ede-8
0.303
MAR-TRE-67513f76-71
0.299
DAR-DIA-2b784ede-38
0.299
LON-WEI-b8d98729-18
0.296
DAR-DIA-2b784ede-11
0.296
DAR-DIA-2b784ede-34
0.295
MAR-TRE-9c797165-76
0.294
AGN-NEW-c7b24fe3-4
0.292
AGN-NEW-c7b24fe3-5
0.292
LON-WEI-b8d98729-46
0.291
DAR-DIA-2b784ede-35
0.291
DAR-DIA-2b784ede-10
0.291
MAK-UNK-c749d764-27
0.291
BEN-VAN-77cef4f8-5
0.291
LON-WEI-d1c9908a-10
0.290
MAR-TRE-4b834d9a-1
0.290
DAR-DIA-2b784ede-45
0.289
AGN-NEW-c7b24fe3-6
0.289
AGN-NEW-c7b24fe3-3
0.289
THO-SYG-cc9e9a11-1
0.287
LON-WEI-b8d98729-2
0.287
DAR-DIA-2b784ede-18
0.287
DAR-DIA-2b784ede-16
0.287
LON-WEI-b8d98729-20
0.286
LON-WEI-b8d98729-29
0.284
LON-WEI-b8d98729-39
0.284
ERI-UCB-fbdd3ea1-2
0.284
ERI-UCB-fbdd3ea1-1
0.284
MAR-TRE-4b834d9a-29
0.284
SAD-SAT-b55127ae-8
0.284
DAR-DIA-2b784ede-48
0.283
LON-WEI-b8d98729-48
0.282
DAR-DIA-2b784ede-17
0.282
DAR-DIA-2b784ede-12
0.281
LON-WEI-b8d98729-45
0.279
LON-WEI-d1c9908a-8
0.279
JAG-UCB-a3ef7265-5
0.278
BAR-COM-0f94fc3d-31
0.277
ALP-POS-95b75b4d-4
0.277
EDJ-MED-49816e9b-2
0.276
LON-WEI-af038623-7
0.276
DAR-DIA-2b784ede-36
0.276
RUB-POS-1325a9ea-5
0.274
DAR-DIA-2b784ede-42
0.274
JOH-UNI-abfda500-6
0.273
JAG-UCB-a3ef7265-9
0.273
ANN-UNI-98d2bf15-1
0.273
MAK-UNK-6ca90168-27
0.273
DAR-DIA-2b784ede-47
0.272
WJF-WAB-5e8b96ca-1
0.272
BEN-VAN-77cef4f8-4
0.271
MAR-TRE-3159af1a-46
0.271
MAR-TRE-3e4e6814-32
0.271
THO-SYG-cc9e9a11-2
0.271
PET-UNK-8df914d1-3
0.270
TRY-UNI-714a760b-6
0.270
MAK-UNK-f203cb68-4
0.269
DAR-DIA-2b784ede-15
0.269
DAR-DIA-2b784ede-14
0.269
EDJ-MED-b24713dc-4
0.268
MAR-TRE-67513f76-30
0.268
NIM-NMI-8bb27a2b-7
0.268
BEN-VAN-77cef4f8-2
0.267
EDG-MED-0da5ad92-18
0.267
MAR-TRE-74c6519b-15
0.266
BAR-COM-0f94fc3d-57
0.265
DAR-DIA-2b784ede-13
0.264
EDG-MED-0da5ad92-17
0.264
JAG-UCB-a3ef7265-4
0.264
RAL-THA-2d450e86-38
0.264
NIM-NMI-8bb27a2b-21
0.264