N-[3-(cyclohexylsulfanyl)propyl]-10-[(2-methylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[3-(cyclohexylsulfanyl)propyl]-10-[(2-methylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[3-(cyclohexylsulfanyl)propyl]-10-[(2-methylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-0524 |
| Compound Name: | N-[3-(cyclohexylsulfanyl)propyl]-10-[(2-methylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 530.75 |
| Molecular Formula: | C31 H34 N2 O2 S2 |
| Smiles: | Cc1ccccc1CN1C(c2ccccc2Sc2ccc(cc12)C(NCCCSC1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.48 |
| logD: | 7.48 |
| logSw: | -5.4774 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.848 |
| InChI Key: | JQTOEUYFOQYPDC-UHFFFAOYSA-N |