N-{5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl}-8-methyl-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
N-{5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl}-8-methyl-1-benzoxepine-4-carboxamide
N-{5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl}-8-methyl-1-benzoxepine-4-carboxamide
Compound characteristics
Compound ID: | D547-0185 |
Compound Name: | N-{5-[(2-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(Cc2ccccc2F)s1)=O |
Stereo: | ACHIRAL |
logP: | 6.3934 |
logD: | 6.3897 |
logSw: | -5.4559 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 39.251 |
InChI Key: | HPSAIYKZKCANND-UHFFFAOYSA-N |