N-benzyl-10-methyl-4-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Chemical Structure Depiction of
N-benzyl-10-methyl-4-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
N-benzyl-10-methyl-4-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Compound characteristics
| Compound ID: | G202-0274 |
| Compound Name: | N-benzyl-10-methyl-4-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide |
| Molecular Weight: | 515.7 |
| Molecular Formula: | C29 H29 N3 O2 S2 |
| Smiles: | Cn1c2c(C(C(NCc3ccccc3)=O)N(CCc3ccc(cc3)SC)C(CS2)=O)c2ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2627 |
| logD: | 5.2627 |
| logSw: | -5.3371 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.579 |
| InChI Key: | VHLBWXUAGPGTRQ-MHZLTWQESA-N |