N-[(2-chlorophenyl)methyl]-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-1-benzoxepine-4-carboxamide
N-[(2-chlorophenyl)methyl]-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0099 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 311.77 |
| Molecular Formula: | C18 H14 Cl N O2 |
| Smiles: | C(c1ccccc1[Cl])NC(C1C=COc2ccccc2C=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5248 |
| logD: | 4.5248 |
| logSw: | -4.5239 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.2764 |
| InChI Key: | VLVVWDLAHBPDPA-UHFFFAOYSA-N |