N-{5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl}-7-methyl-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
N-{5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl}-7-methyl-1-benzoxepine-4-carboxamide
N-{5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl}-7-methyl-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D547-0065 |
| Compound Name: | N-{5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl}-7-methyl-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 392.45 |
| Molecular Formula: | C22 H17 F N2 O2 S |
| Smiles: | Cc1ccc2c(C=C(C=CO2)C(Nc2ncc(Cc3ccccc3F)s2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.1522 |
| logD: | 6.1485 |
| logSw: | -5.3361 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.251 |
| InChI Key: | PJCMZILAXCJXDS-UHFFFAOYSA-N |