N-[2-(morpholin-4-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-(morpholin-4-yl)ethyl]-11-oxo-10-{[4-(trifluoromethyl)phenyl]methyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[2-(morpholin-4-yl)ethyl]-11-oxo-10-{[4-(trifluoromethyl)phenyl]methyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C380-0933 |
| Compound Name: | N-[2-(morpholin-4-yl)ethyl]-11-oxo-10-{[4-(trifluoromethyl)phenyl]methyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 541.59 |
| Molecular Formula: | C28 H26 F3 N3 O3 S |
| Smiles: | C(CN1CCOCC1)NC(c1ccc2c(c1)N(Cc1ccc(cc1)C(F)(F)F)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7893 |
| logD: | 4.7752 |
| logSw: | -4.7136 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.547 |
| InChI Key: | NWKKOQDKEFPFHH-UHFFFAOYSA-N |