N-{5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl}-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
N-{5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl}-1-benzoxepine-4-carboxamide
N-{5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl}-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0073 |
| Compound Name: | N-{5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl}-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 394.88 |
| Molecular Formula: | C21 H15 Cl N2 O2 S |
| Smiles: | C(c1cccc(c1)[Cl])c1cnc(NC(C2C=COc3ccccc3C=2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.2278 |
| logD: | 6.2241 |
| logSw: | -6.2532 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.251 |
| InChI Key: | DWBSYVGIAMZAAN-UHFFFAOYSA-N |