7-chloro-N-(2,4-dimethylphenyl)-9-methoxy-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
7-chloro-N-(2,4-dimethylphenyl)-9-methoxy-1-benzoxepine-4-carboxamide
7-chloro-N-(2,4-dimethylphenyl)-9-methoxy-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0592 |
| Compound Name: | 7-chloro-N-(2,4-dimethylphenyl)-9-methoxy-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 355.82 |
| Molecular Formula: | C20 H18 Cl N O3 |
| Smiles: | Cc1ccc(c(C)c1)NC(C1C=COc2c(C=1)cc(cc2OC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3465 |
| logD: | 5.3465 |
| logSw: | -5.9459 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.571 |
| InChI Key: | MNGGMQGRCXPFJY-UHFFFAOYSA-N |