7-chloro-N-(5-{[4-(propan-2-yl)phenyl]methyl}-1,3-thiazol-2-yl)-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
7-chloro-N-(5-{[4-(propan-2-yl)phenyl]methyl}-1,3-thiazol-2-yl)-1-benzoxepine-4-carboxamide
7-chloro-N-(5-{[4-(propan-2-yl)phenyl]methyl}-1,3-thiazol-2-yl)-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0235 |
| Compound Name: | 7-chloro-N-(5-{[4-(propan-2-yl)phenyl]methyl}-1,3-thiazol-2-yl)-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 436.96 |
| Molecular Formula: | C24 H21 Cl N2 O2 S |
| Smiles: | CC(C)c1ccc(Cc2cnc(NC(C3C=COc4ccc(cc4C=3)[Cl])=O)s2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 7.4769 |
| logD: | 7.4732 |
| logSw: | -6.538 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.251 |
| InChI Key: | BYZRDEOYCHCZQP-UHFFFAOYSA-N |