7-chloro-N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}-9-methoxy-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
7-chloro-N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}-9-methoxy-1-benzoxepine-4-carboxamide
7-chloro-N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}-9-methoxy-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0654 |
| Compound Name: | 7-chloro-N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}-9-methoxy-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 442.89 |
| Molecular Formula: | C22 H16 Cl F N2 O3 S |
| Smiles: | COc1cc(cc2C=C(C=COc12)C(Nc1ncc(Cc2ccc(cc2)F)s1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.1407 |
| logD: | 6.137 |
| logSw: | -6.1914 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.565 |
| InChI Key: | JGFKXVWNRATRRI-UHFFFAOYSA-N |