7-chloro-N-{5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl}-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
7-chloro-N-{5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl}-1-benzoxepine-4-carboxamide
7-chloro-N-{5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl}-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0236 |
| Compound Name: | 7-chloro-N-{5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl}-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 412.87 |
| Molecular Formula: | C21 H14 Cl F N2 O2 S |
| Smiles: | C(c1ccccc1F)c1cnc(NC(C2C=COc3ccc(cc3C=2)[Cl])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.4087 |
| logD: | 6.405 |
| logSw: | -6.3227 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.251 |
| InChI Key: | OQSAJRVECFSQQQ-UHFFFAOYSA-N |