N-[2-(cyclohex-1-en-1-yl)ethyl]-11-oxo-10-{[4-(trifluoromethyl)phenyl]methyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-11-oxo-10-{[4-(trifluoromethyl)phenyl]methyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-11-oxo-10-{[4-(trifluoromethyl)phenyl]methyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C380-0930 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-11-oxo-10-{[4-(trifluoromethyl)phenyl]methyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 536.62 |
| Molecular Formula: | C30 H27 F3 N2 O2 S |
| Smiles: | C1CCC(CCNC(c2ccc3c(c2)N(Cc2ccc(cc2)C(F)(F)F)C(c2ccccc2S3)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 7.021 |
| logD: | 7.021 |
| logSw: | -6.2083 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.848 |
| InChI Key: | MCBHVKXUHKAKFZ-UHFFFAOYSA-N |