N-(5-{[4-chloro-3-(trifluoromethyl)phenyl]methyl}-1,3-thiazol-2-yl)-7-methoxy-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
N-(5-{[4-chloro-3-(trifluoromethyl)phenyl]methyl}-1,3-thiazol-2-yl)-7-methoxy-1-benzoxepine-4-carboxamide
N-(5-{[4-chloro-3-(trifluoromethyl)phenyl]methyl}-1,3-thiazol-2-yl)-7-methoxy-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0812 |
| Compound Name: | N-(5-{[4-chloro-3-(trifluoromethyl)phenyl]methyl}-1,3-thiazol-2-yl)-7-methoxy-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 492.9 |
| Molecular Formula: | C23 H16 Cl F3 N2 O3 S |
| Smiles: | COc1ccc2c(C=C(C=CO2)C(Nc2ncc(Cc3ccc(c(c3)C(F)(F)F)[Cl])s2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.0208 |
| logD: | 7.0171 |
| logSw: | -6.4848 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.794 |
| InChI Key: | YILIYFUHYFQNEQ-UHFFFAOYSA-N |