N-(2,3-dimethylcyclohexyl)-10-{[4-(methylsulfanyl)phenyl]methyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-(2,3-dimethylcyclohexyl)-10-{[4-(methylsulfanyl)phenyl]methyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-(2,3-dimethylcyclohexyl)-10-{[4-(methylsulfanyl)phenyl]methyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C380-0851 |
| Compound Name: | N-(2,3-dimethylcyclohexyl)-10-{[4-(methylsulfanyl)phenyl]methyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 516.72 |
| Molecular Formula: | C30 H32 N2 O2 S2 |
| Smiles: | CC1CCCC(C1C)NC(c1ccc2c(c1)N(Cc1ccc(cc1)SC)C(c1ccccc1S2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.9887 |
| logD: | 6.9887 |
| logSw: | -5.5538 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.929 |
| InChI Key: | IUKAHESRBYBCNL-UHFFFAOYSA-N |