N-{5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl}-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
N-{5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl}-1-benzoxepine-4-carboxamide
N-{5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl}-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0074 |
| Compound Name: | N-{5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl}-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 408.9 |
| Molecular Formula: | C22 H17 Cl N2 O2 S |
| Smiles: | Cc1ccc(Cc2cnc(NC(C3C=COc4ccccc4C=3)=O)s2)cc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.8054 |
| logD: | 6.8017 |
| logSw: | -6.2792 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.251 |
| InChI Key: | HNCIJPWLRBNUCN-UHFFFAOYSA-N |