N-[3-(methylsulfanyl)phenyl]-4-(thiophen-2-yl)-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-[3-(methylsulfanyl)phenyl]-4-(thiophen-2-yl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
N-[3-(methylsulfanyl)phenyl]-4-(thiophen-2-yl)-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: | G281-1386 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-4-(thiophen-2-yl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide |
| Molecular Weight: | 491.7 |
| Molecular Formula: | C26 H25 N3 O S3 |
| Smiles: | CSc1cccc(c1)NC(N1Cc2c3CCCCc3sc2n2cccc2C1c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9489 |
| logD: | 6.9489 |
| logSw: | -5.6259 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.9616 |
| InChI Key: | PNIVWUURXXYGGG-XMMPIXPASA-N |