N-[(2-methoxyphenyl)methyl]-7-methyl-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
N-[(2-methoxyphenyl)methyl]-7-methyl-1-benzoxepine-4-carboxamide
N-[(2-methoxyphenyl)methyl]-7-methyl-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D547-0112 |
| Compound Name: | N-[(2-methoxyphenyl)methyl]-7-methyl-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 321.37 |
| Molecular Formula: | C20 H19 N O3 |
| Smiles: | Cc1ccc2c(C=C(C=CO2)C(NCc2ccccc2OC)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.3195 |
| logD: | 4.3195 |
| logSw: | -4.4012 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.907 |
| InChI Key: | MTJDFADXQODINU-UHFFFAOYSA-N |