N-(2,5-dimethoxyphenyl)-4-[4-(methylsulfanyl)phenyl]-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
Chemical Structure Depiction of
N-(2,5-dimethoxyphenyl)-4-[4-(methylsulfanyl)phenyl]-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
N-(2,5-dimethoxyphenyl)-4-[4-(methylsulfanyl)phenyl]-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G281-0267 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-4-[4-(methylsulfanyl)phenyl]-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide |
| Molecular Weight: | 545.72 |
| Molecular Formula: | C30 H31 N3 O3 S2 |
| Smiles: | COc1ccc(c(c1)NC(N1Cc2c3CCCCc3sc2n2cccc2C1c1ccc(cc1)SC)=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.6625 |
| logD: | 7.6625 |
| logSw: | -5.7066 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.42 |
| InChI Key: | QNUGGBUBYIOBKK-NDEPHWFRSA-N |