7-chloro-N-{5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl}-9-methoxy-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
7-chloro-N-{5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl}-9-methoxy-1-benzoxepine-4-carboxamide
7-chloro-N-{5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl}-9-methoxy-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0658 |
| Compound Name: | 7-chloro-N-{5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl}-9-methoxy-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 452.96 |
| Molecular Formula: | C24 H21 Cl N2 O3 S |
| Smiles: | CCc1ccc(Cc2cnc(NC(C3C=COc4c(C=3)cc(cc4OC)[Cl])=O)s2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 7.0423 |
| logD: | 7.0386 |
| logSw: | -6.3647 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.565 |
| InChI Key: | YNWJKGPYXQDHMO-UHFFFAOYSA-N |