7-chloro-9-methoxy-N-(3-methylphenyl)-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
7-chloro-9-methoxy-N-(3-methylphenyl)-1-benzoxepine-4-carboxamide
7-chloro-9-methoxy-N-(3-methylphenyl)-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0582 |
| Compound Name: | 7-chloro-9-methoxy-N-(3-methylphenyl)-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 341.79 |
| Molecular Formula: | C19 H16 Cl N O3 |
| Smiles: | Cc1cccc(c1)NC(C1C=COc2c(C=1)cc(cc2OC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0256 |
| logD: | 5.0256 |
| logSw: | -5.0492 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.269 |
| InChI Key: | BDPSCEPXJVUAOB-UHFFFAOYSA-N |