7-chloro-9-methoxy-N-(3-methoxyphenyl)-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
7-chloro-9-methoxy-N-(3-methoxyphenyl)-1-benzoxepine-4-carboxamide
7-chloro-9-methoxy-N-(3-methoxyphenyl)-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0585 |
| Compound Name: | 7-chloro-9-methoxy-N-(3-methoxyphenyl)-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 357.79 |
| Molecular Formula: | C19 H16 Cl N O4 |
| Smiles: | COc1cccc(c1)NC(C1C=COc2c(C=1)cc(cc2OC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7321 |
| logD: | 4.732 |
| logSw: | -4.8958 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.813 |
| InChI Key: | IQLYEXRGSYFZDX-UHFFFAOYSA-N |