7-chloro-9-methoxy-N-(5-{[3-(trifluoromethyl)phenyl]methyl}-1,3-thiazol-2-yl)-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
7-chloro-9-methoxy-N-(5-{[3-(trifluoromethyl)phenyl]methyl}-1,3-thiazol-2-yl)-1-benzoxepine-4-carboxamide
7-chloro-9-methoxy-N-(5-{[3-(trifluoromethyl)phenyl]methyl}-1,3-thiazol-2-yl)-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0630 |
| Compound Name: | 7-chloro-9-methoxy-N-(5-{[3-(trifluoromethyl)phenyl]methyl}-1,3-thiazol-2-yl)-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 492.9 |
| Molecular Formula: | C23 H16 Cl F3 N2 O3 S |
| Smiles: | COc1cc(cc2C=C(C=COc12)C(Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.914 |
| logD: | 6.9103 |
| logSw: | -6.5139 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.565 |
| InChI Key: | KXPRIAOJPWREDT-UHFFFAOYSA-N |