N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}-8-methyl-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}-8-methyl-1-benzoxepine-4-carboxamide
N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}-8-methyl-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D547-0179 |
| Compound Name: | N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}-8-methyl-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 392.45 |
| Molecular Formula: | C22 H17 F N2 O2 S |
| Smiles: | Cc1ccc2C=C(C=COc2c1)C(Nc1ncc(Cc2ccc(cc2)F)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1525 |
| logD: | 6.1488 |
| logSw: | -5.2734 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.251 |
| InChI Key: | ANHOEQGEJQNCLL-UHFFFAOYSA-N |