N-[(3-methoxyphenyl)methyl]-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-[(3-methoxyphenyl)methyl]-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-[(3-methoxyphenyl)methyl]-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: | G281-0327 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-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: | 529.72 |
| Molecular Formula: | C30 H31 N3 O2 S2 |
| Smiles: | COc1cccc(CNC(N2Cc3c4CCCCc4sc3n3cccc3C2c2ccc(cc2)SC)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.4429 |
| logD: | 7.4429 |
| logSw: | -5.6607 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.809 |
| InChI Key: | DDNDLYFZSREOPR-NDEPHWFRSA-N |