Molecular Properties | |
SMILES: | CN(C)C/C=C/C(=O)Nc1c[nH]c2ccccc12 |
MW: | 243.31 |
Fraction sp3: | 0.21 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 48.13 |
cLogP: | 2.2242 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine Extended REAL: | s_22____13422042____17039346 |
MolPort: | MolPort-047-480-532 |
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-ab37bd51-2
0.535
JIN-POS-6dc588a4-5
0.440
GAB-REV-70cc3ca5-17
0.357
ALP-POS-a3de0cb1-14
0.355
WAL-WAB-c1441da0-1
0.317
JOH-MSK-a63bdd1d-10
0.314
WAL-WAB-c1441da0-2
0.312
SAN-PRS-3c4a6997-2
0.307
CUN-WAB-25b584ee-2
0.299
MAR-UCB-195bc32d-22
0.286
NIC-BIO-3276ca7f-7
0.284
MAR-TRE-85681e92-68
0.284
MAR-UCB-195bc32d-9
0.284
NIC-BIO-3276ca7f-2
0.281
MAR-UCB-195bc32d-45
0.278
MAR-TRE-85681e92-33
0.276
AAR-UNI-c25c2f1e-29
0.275
BUT-SEX-9e782cc8-1
0.271
MAR-TRE-4f781e27-96
0.271
MAR-TRE-4f39ef4a-5
0.267
ALP-POS-a3de0cb1-15
0.266
MAR-TRE-74c6519b-79
0.266
MAR-TRE-85681e92-53
0.264
MAT-POS-e1b5ac6b-1
0.261
ROB-UNI-daaf9793-1
0.261
MAR-TRE-4f39ef4a-9
0.258
MAR-TRE-f5c2d31c-47
0.256
MAR-TRE-74c6519b-68
0.256
AAR-UNI-c25c2f1e-73
0.255
MAR-UCB-f313ec4d-1
0.255
DAR-DIA-076fb6ea-11
0.255
MAR-UCB-195bc32d-18
0.253
MAR-TRE-85681e92-69
0.253
FEL-WAB-fb168420-3
0.253
MAR-TRE-b77b7921-67
0.252
CUN-WAB-25b584ee-1
0.250
MAR-TRE-66ac689e-52
0.250
MAR-TRE-fd17a9b8-35
0.250
NAU-LAT-a5c7d7cb-9
0.250
MAR-TRE-4f781e27-69
0.247
GAB-REV-df64cf17-18
0.247
MAT-POS-162a9720-8
0.247
NJA-MAN-b9fb953f-5
0.245
SAL-INS-68b48d12-10
0.245
RED-RED-10c9212c-33
0.245
MAR-TRE-4f781e27-6
0.245
MAK-UNK-3ae66343-1
0.244
YIA-UNI-71f25a82-2
0.243
LON-WEI-5e7d1b3e-20
0.243
LON-WEI-4d77710c-20
0.243
RED-RED-10c9212c-42
0.242
RED-RED-10c9212c-9
0.242
ALP-POS-8ed8d9ec-2
0.240
MAT-UCB-70f7c0f7-5
0.240
MAT-POS-3b92565d-4
0.240
MAT-POS-3b92565d-5
0.240
MAT-POS-e1b5ac6b-2
0.240
MAR-TRE-8190bb11-25
0.239
MAT-POS-bb423b95-6
0.239
JIN-POS-6dc588a4-19
0.239
JOH-UNI-6fede743-3
0.239
SUN-WAB-e274cdaf-1
0.238
MAR-TRE-fd17a9b8-10
0.237
FEL-WAB-fb168420-2
0.237
MAR-TRE-fd17a9b8-29
0.237
MAK-UNK-919546f0-5
0.235
BRU-UNI-248b30bc-12
0.234
NAU-LAT-30527ac5-6
0.234
NAU-LAT-30527ac5-3
0.232
MAT-UCB-93f6aed8-1
0.232
LON-WEI-120e5cf5-18
0.232
MAR-TRE-9d18ae8c-91
0.232
GAB-REV-70cc3ca5-9
0.231
ALP-POS-8ed8d9ec-6
0.231
AAR-UNI-c25c2f1e-26
0.231
MAT-POS-ea426761-14
0.231
SAL-INS-68b48d12-8
0.230
MAR-TRE-4b834d9a-27
0.229
KEI-TRE-d5e2018a-23
0.229
YIA-UNI-71f25a82-1
0.229
MAR-TRE-92684b97-10
0.229
MAR-TRE-36bf7dba-27
0.229
SAL-INS-68b48d12-6
0.228
TAT-ENA-80bfd3e5-16
0.228
RED-RED-10c9212c-54
0.227
MAT-UCB-93f6aed8-2
0.226
LON-WEI-5e7d1b3e-3
0.226
LON-WEI-4d77710c-3
0.226
REN-UFA-aaaed2d6-1
0.226
EDJ-MED-c8e7a002-11
0.225
NAU-LAT-a5c7d7cb-10
0.225
MAT-POS-ea426761-94
0.223
MAR-TRE-36bf7dba-26
0.223
AAR-UNI-c25c2f1e-34
0.223
ADA-UCB-6c2cb422-8
0.222
MAR-TRE-fd17a9b8-25
0.221
MAR-UCB-195bc32d-5
0.221
LON-WEI-af038623-3
0.221
NIC-BIO-3276ca7f-4
0.219
SAL-INS-68b48d12-9
0.218