N-(5-benzyl-1,3-thiazol-2-yl)-7-methoxy-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
N-(5-benzyl-1,3-thiazol-2-yl)-7-methoxy-1-benzoxepine-4-carboxamide
N-(5-benzyl-1,3-thiazol-2-yl)-7-methoxy-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0793 |
| Compound Name: | N-(5-benzyl-1,3-thiazol-2-yl)-7-methoxy-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 390.46 |
| Molecular Formula: | C22 H18 N2 O3 S |
| Smiles: | COc1ccc2c(C=C(C=CO2)C(Nc2ncc(Cc3ccccc3)s2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.5314 |
| logD: | 5.5277 |
| logSw: | -5.31 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.794 |
| InChI Key: | FDVBHHCMSBEDNV-UHFFFAOYSA-N |