N-(4-chloro-3-methylphenyl)-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
N-(4-chloro-3-methylphenyl)-1-benzoxepine-4-carboxamide
N-(4-chloro-3-methylphenyl)-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0029 |
| Compound Name: | N-(4-chloro-3-methylphenyl)-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 311.77 |
| Molecular Formula: | C18 H14 Cl N O2 |
| Smiles: | Cc1cc(ccc1[Cl])NC(C1C=COc2ccccc2C=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3112 |
| logD: | 5.3111 |
| logSw: | -5.992 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.9542 |
| InChI Key: | ULXHSPOEBVHSPA-UHFFFAOYSA-N |