N-benzyl-10-methyl-4-[2-(4-methylphenyl)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-methylphenyl)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-methylphenyl)ethyl]-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Compound characteristics
| Compound ID: | G202-0265 |
| Compound Name: | N-benzyl-10-methyl-4-[2-(4-methylphenyl)ethyl]-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide |
| Molecular Weight: | 483.63 |
| Molecular Formula: | C29 H29 N3 O2 S |
| Smiles: | Cc1ccc(CCN2C(C(NCc3ccccc3)=O)c3c4ccccc4n(C)c3SCC2=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9668 |
| logD: | 4.9668 |
| logSw: | -4.7702 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.579 |
| InChI Key: | BMJUZWOAVBZUTH-MHZLTWQESA-N |