N-(5-benzyl-1,3-thiazol-2-yl)-7-chloro-9-methoxy-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
N-(5-benzyl-1,3-thiazol-2-yl)-7-chloro-9-methoxy-1-benzoxepine-4-carboxamide
N-(5-benzyl-1,3-thiazol-2-yl)-7-chloro-9-methoxy-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0644 |
| Compound Name: | N-(5-benzyl-1,3-thiazol-2-yl)-7-chloro-9-methoxy-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 424.9 |
| Molecular Formula: | C22 H17 Cl N2 O3 S |
| Smiles: | COc1cc(cc2C=C(C=COc12)C(Nc1ncc(Cc2ccccc2)s1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.1116 |
| logD: | 6.108 |
| logSw: | -6.0968 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.565 |
| InChI Key: | LEYSYPGGJGKLTM-UHFFFAOYSA-N |