N-benzyl-4-(4-chloro-2-methylphenyl)-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Chemical Structure Depiction of
N-benzyl-4-(4-chloro-2-methylphenyl)-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
N-benzyl-4-(4-chloro-2-methylphenyl)-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Compound characteristics
| Compound ID: | G202-0283 |
| Compound Name: | N-benzyl-4-(4-chloro-2-methylphenyl)-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide |
| Molecular Weight: | 490.02 |
| Molecular Formula: | C27 H24 Cl N3 O2 S |
| Smiles: | Cc1cc(ccc1N1C(C(NCc2ccccc2)=O)c2c3ccccc3n(C)c2SCC1=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5583 |
| logD: | 5.5583 |
| logSw: | -5.8985 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.688 |
| InChI Key: | ZPASDGHZNGRFHJ-RUZDIDTESA-N |