Molecular Properties | |
SMILES: | COC(=O)C(Cc1ccccc1)C(C)NC(=O)C(C)n1ccnc1 |
MW: | 329.4 |
Fraction sp3: | 0.39 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 73.22 |
cLogP: | 1.9807 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z2079085604 |
MolPort: | MolPort-047-314-979 |
Order Status | |
Ordered: | 2020-03-31 |
Synthesis Location: | enamine |
Shipped: | 2020-05-07 |
Ester
Long aliphatic chain
AAR-POS-d2a4d1df-11
FAR-UNI-a04c1544-1
0.307
MAR-TRE-74c6519b-52
0.303
BEN-DND-93268d01-14
0.291
BAR-COM-4e090d3a-38
0.290
MAT-POS-bfefc3ea-2
0.289
MAR-SOS-c7881798-1
0.286
MAR-SOS-82e3a7c7-11
0.286
ALE-UNK-fca05062-6
0.282
MAR-SOS-82e3a7c7-5
0.281
MAR-SOS-c7881798-10
0.281
MAR-TRE-e86a56b5-55
0.279
ALP-POS-8ed8d9ec-11
0.279
EDG-MED-90036822-60
0.277
ALP-POS-a3de0cb1-6
0.276
MAR-SOS-c7881798-6
0.272
MAR-SOS-82e3a7c7-6
0.272
MAR-TRE-f6f5f473-80
0.272
BAR-COM-4e090d3a-7
0.271
MAR-TRE-9c797165-39
0.270
MAK-UNK-f983951f-22
0.269
SAL-INS-68b48d12-4
0.268
JUS-UNI-57125a42-1
0.265
BAR-COM-4e090d3a-19
0.263
SAL-INS-68b48d12-12
0.263
JUA-UNI-a9dfaed1-6
0.261
MAT-POS-b5746674-62
0.260
JUA-UNI-b93289a4-6
0.259
FAR-UNI-124f5ee8-1
0.258
MAK-UNK-27459e11-12
0.256
DRA-CSI-47e38074-3
0.256
MAR-SOS-c7881798-4
0.253
MAR-SOS-82e3a7c7-12
0.253
AAR-UNI-c25c2f1e-43
0.253
MIC-SGC-657978c3-3
0.250
MAR-SOS-82e3a7c7-10
0.250
MAR-SOS-c7881798-11
0.250
MAR-TRE-92684b97-51
0.250
JAN-GHE-f375bf5b-1
0.248
ARI-TAT-5792557e-24
0.248
AAR-UNI-c25c2f1e-84
0.248
MAR-SOS-c7881798-7
0.247
MAR-SOS-82e3a7c7-4
0.247
MAR-TRE-9c797165-17
0.247
NIM-UNI-bb9030bf-1
0.247
MAK-UNK-27459e11-5
0.247
ABH-HOE-1cbf6cd9-4
0.246
CUN-WAB-25b584ee-1
0.245
MAR-TRE-67513f76-47
0.244
NAU-LAT-64f4b287-9
0.244
SAL-INS-a5f8a8b9-2
0.243
MAR-TRE-85681e92-59
0.242
MAR-TRE-87acfbcc-31
0.242
MIC-SGC-657978c3-4
0.242
PAU-UNI-6d15a9f5-5
0.242
NIC-BIO-3276ca7f-4
0.240
FAR-UNI-9a76d7b5-1
0.240
JAN-GHE-83b26c96-3
0.240
AAR-POS-fca48359-12
0.240
BAR-COM-4e090d3a-29
0.240
ARI-TAT-5792557e-28
0.239
NIC-BIO-b40446ce-2
0.238
MAR-SOS-82e3a7c7-3
0.238
MAR-SOS-c7881798-12
0.238
PAU-UNI-6d15a9f5-4
0.237
MAR-TRE-9c797165-34
0.237
WIL-UNI-5578df48-8
0.236
JOH-MSK-8ad0fd05-1
0.236
TAT-ENA-80bfd3e5-38
0.235
MAR-TRE-67513f76-30
0.235
AAR-UNI-c25c2f1e-50
0.235
MAR-SOS-82e3a7c7-1
0.234
MAR-SOS-c7881798-2
0.234
MAR-TRE-7f7bb9f0-47
0.234
LAU-FAC-e2c8b4ad-1
0.234
SAL-INS-68b48d12-2
0.234
ABH-HOE-1cbf6cd9-3
0.234
MAR-TRE-74c6519b-65
0.233
BAR-COM-0f94fc3d-4
0.233
MAR-TRE-85681e92-51
0.233
GIA-UNK-595fac82-5
0.233
ALE-UNK-fca05062-7
0.233
BAR-COM-4e090d3a-56
0.232
MAR-TRE-e86a56b5-47
0.232
ALE-UNK-fca05062-8
0.232
DRA-CSI-47e38074-6
0.232
MIC-UNK-bcd487e9-1
0.231
LON-WEI-1908424e-1
0.231
CHA-KIN-bfe9b535-4
0.231
WIL-UNI-5578df48-3
0.231
YUN-WES-58b0dbae-8
0.230
YUN-WES-64c64eb2-6
0.230
SAL-INS-68b48d12-3
0.230
AAR-UNI-c25c2f1e-101
0.230
MAR-TRE-85681e92-66
0.230
ARI-TAT-5792557e-29
0.230
TRY-UNI-714a760b-2
0.230
PAU-UNI-6d15a9f5-7
0.229
BEN-DND-93268d01-1
0.229
BEN-DND-03406596-11
0.229
BEN-DND-03406596-12
0.229