N-[(2-chlorophenyl)methyl]-8-methyl-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-8-methyl-1-benzoxepine-4-carboxamide
N-[(2-chlorophenyl)methyl]-8-methyl-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D547-0199 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-8-methyl-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 325.79 |
| Molecular Formula: | C19 H16 Cl N O2 |
| Smiles: | Cc1ccc2C=C(C=COc2c1)C(NCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1214 |
| logD: | 5.1214 |
| logSw: | -5.5807 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.2764 |
| InChI Key: | BHJMFHYNSWIYTB-UHFFFAOYSA-N |