Molecular Properties | |
SMILES: | CN(C)C/C=C/C(=O)NCc1c[nH]c2ccccc12 |
MW: | 257.337 |
Fraction sp3: | 0.27 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 48.13 |
cLogP: | 1.9019 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-047-480-533 |
Order Status | |
Ordered: | 2020-04-17 |
Synthesis Location: | enamine |
Shipped: | 2020-05-20 |
Activated double bonds (2)
vinyl michael acceptor1
AAR-POS-d2a4d1df-2
ANT-OPE-ab37bd51-1
0.535
SAN-PRS-3c4a6997-2
0.423
JOH-MSK-a63bdd1d-10
0.418
MAR-UCB-195bc32d-22
0.417
CUN-WAB-25b584ee-2
0.392
AAR-UNI-c25c2f1e-29
0.384
NIC-BIO-3276ca7f-7
0.381
NIC-BIO-3276ca7f-2
0.376
MAR-UCB-195bc32d-9
0.372
MAR-TRE-85681e92-68
0.365
MAR-TRE-85681e92-33
0.357
GAB-REV-df64cf17-18
0.352
MAR-UCB-195bc32d-18
0.347
MAR-TRE-4f39ef4a-5
0.345
AAR-UNI-c25c2f1e-73
0.344
MAR-TRE-85681e92-53
0.341
MAR-TRE-fd17a9b8-35
0.341
CUN-WAB-25b584ee-1
0.341
MAR-TRE-85681e92-69
0.341
ALP-POS-a3de0cb1-15
0.341
MAR-TRE-f5c2d31c-47
0.337
FEL-WAB-fb168420-3
0.337
MAT-POS-162a9720-8
0.333
AAR-UNI-c25c2f1e-72
0.333
MAR-TRE-4f39ef4a-9
0.333
AAR-UNI-c25c2f1e-34
0.330
SCO-VAN-260d9628-5
0.329
MAR-TRE-74c6519b-79
0.326
SAL-INS-68b48d12-10
0.324
AAR-UNI-c25c2f1e-26
0.323
ALP-POS-8ed8d9ec-2
0.323
MAR-TRE-fd17a9b8-10
0.323
MAR-TRE-4f781e27-69
0.322
MAR-TRE-4f781e27-6
0.319
RED-RED-10c9212c-33
0.316
RED-RED-10c9212c-42
0.315
WIL-UNI-1faa9b10-29
0.315
NJA-MAN-b9fb953f-5
0.311
FEL-WAB-fb168420-2
0.309
MAR-TRE-36bf7dba-27
0.307
SUN-WAB-e274cdaf-1
0.306
MAR-TRE-fd17a9b8-25
0.306
MAR-TRE-36bf7dba-21
0.304
MAR-TRE-36bf7dba-26
0.303
SAL-INS-68b48d12-8
0.303
SAL-INS-68b48d12-6
0.300
ALP-POS-8ed8d9ec-6
0.297
LON-WEI-4d77710c-20
0.297
LON-WEI-5e7d1b3e-20
0.297
MAR-TRE-b77b7921-67
0.294
YIA-UNI-71f25a82-1
0.294
SAL-INS-68b48d12-9
0.292
MAR-TRE-fd17a9b8-18
0.290
NIM-UNI-310206f0-31
0.290
BRU-UNI-248b30bc-12
0.286
YIA-UNI-71f25a82-2
0.283
MAT-POS-ea426761-94
0.277
SAL-INS-68b48d12-5
0.277
JAN-GHE-c863d918-1
0.277
MAR-TRE-4f781e27-96
0.276
JIN-POS-6dc588a4-5
0.276
SAL-INS-68b48d12-7
0.273
DAR-DIA-076fb6ea-11
0.272
NIM-UNI-310206f0-49
0.266
MAR-TRE-f6f5f473-6
0.266
FAR-UNI-736b943a-8
0.259
AAR-POS-fca48359-10
0.259
GAB-REV-70cc3ca5-17
0.258
MAT-GIT-deadff56-1
0.256
DUN-NEW-f8ce3686-12
0.256
JOH-MEM-4bb7e4cc-1
0.256
MAR-UCB-195bc32d-5
0.256
MAR-TRE-92684b97-53
0.256
MAR-TRE-66ac689e-52
0.255
MAR-TRE-fd17a9b8-29
0.255
BRU-UNI-248b30bc-8
0.254
NIC-BIO-3276ca7f-4
0.250
MAR-TRE-74c6519b-68
0.247
RED-RED-10c9212c-9
0.247
LON-WEI-4d77710c-3
0.247
LON-WEI-5e7d1b3e-3
0.247
DAR-DIA-eace69ff-37
0.247
DAR-DIA-eace69ff-36
0.247
MAR-TRE-fd17a9b8-1
0.245
BUT-SEX-9e782cc8-1
0.243
MAR-UCB-195bc32d-45
0.242
ABI-SAT-30e287c1-2
0.241
BAR-COM-4e090d3a-22
0.240
ANT-OPE-47f3bb65-4
0.238
MAR-UCB-195bc32d-16
0.238
JOH-MSK-a63bdd1d-4
0.238
MAR-UCB-195bc32d-19
0.237
JOH-MSK-a63bdd1d-9
0.237
NIC-BIO-3276ca7f-1
0.237
MAR-TRE-9d18ae8c-91
0.237
BRU-UNI-248b30bc-19
0.236
SAN-PRS-3c4a6997-1
0.235
NIC-BIO-3276ca7f-6
0.235
AAR-POS-d2a4d1df-2
0.235
MAK-UNK-3ae66343-1
0.235