N-[3-(cyclohexylsulfanyl)propyl]-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[3-(cyclohexylsulfanyl)propyl]-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[3-(cyclohexylsulfanyl)propyl]-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-3747 |
| Compound Name: | N-[3-(cyclohexylsulfanyl)propyl]-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 452.68 |
| Molecular Formula: | C26 H32 N2 O S2 |
| Smiles: | CCC1c2cc(C)ccc2Sc2ccc(cc2N=1)C(NCCCSC1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5887 |
| logD: | 6.5884 |
| logSw: | -5.435 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.678 |
| InChI Key: | ZQRVQCBQRNJEDW-UHFFFAOYSA-N |