N-(3,4-dichlorophenyl)-7-methyl-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
N-(3,4-dichlorophenyl)-7-methyl-1-benzoxepine-4-carboxamide
N-(3,4-dichlorophenyl)-7-methyl-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D547-0011 |
| Compound Name: | N-(3,4-dichlorophenyl)-7-methyl-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 346.21 |
| Molecular Formula: | C18 H13 Cl2 N O2 |
| Smiles: | Cc1ccc2c(C=C(C=CO2)C(Nc2ccc(c(c2)[Cl])[Cl])=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.9106 |
| logD: | 5.8884 |
| logSw: | -6.1968 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.9542 |
| InChI Key: | NROKLXVEUJBRLB-UHFFFAOYSA-N |