N-cyclopentyl-3-methyl-4-[(4-methylphenyl)methyl]-5-oxo-3,4,5,6-tetrahydro-2H-[1,4]thiazepino[6,7-b]indole-3-carboxamide
Chemical Structure Depiction of
N-cyclopentyl-3-methyl-4-[(4-methylphenyl)methyl]-5-oxo-3,4,5,6-tetrahydro-2H-[1,4]thiazepino[6,7-b]indole-3-carboxamide
N-cyclopentyl-3-methyl-4-[(4-methylphenyl)methyl]-5-oxo-3,4,5,6-tetrahydro-2H-[1,4]thiazepino[6,7-b]indole-3-carboxamide
Compound characteristics
| Compound ID: | C800-0539 |
| Compound Name: | N-cyclopentyl-3-methyl-4-[(4-methylphenyl)methyl]-5-oxo-3,4,5,6-tetrahydro-2H-[1,4]thiazepino[6,7-b]indole-3-carboxamide |
| Molecular Weight: | 447.6 |
| Molecular Formula: | C26 H29 N3 O2 S |
| Smiles: | Cc1ccc(CN2C(c3c(c4ccccc4[nH]3)SCC2(C)C(NC2CCCC2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1559 |
| logD: | 5.1559 |
| logSw: | -5.0746 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.979 |
| InChI Key: | XLONZEIIMQYDBM-SANMLTNESA-N |