N-(3-chloro-4-methoxyphenyl)-8-methyl-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-8-methyl-1-benzoxepine-4-carboxamide
N-(3-chloro-4-methoxyphenyl)-8-methyl-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D547-0240 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-8-methyl-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 341.79 |
| Molecular Formula: | C19 H16 Cl N O3 |
| Smiles: | Cc1ccc2C=C(C=COc2c1)C(Nc1ccc(c(c1)[Cl])OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1881 |
| logD: | 5.1873 |
| logSw: | -5.6596 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.585 |
| InChI Key: | BHKQDAFHGVGQQB-UHFFFAOYSA-N |