4-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
4-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
4-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0113 |
| Compound Name: | 4-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 446.55 |
| Molecular Formula: | C27 H30 N2 O4 |
| Smiles: | CCOc1cc(CN2CCOc3ccc(cc3C2)C(NCc2ccc(C)cc2)=O)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 4.0825 |
| logD: | 3.3598 |
| logSw: | -3.7603 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.087 |
| InChI Key: | BSVWGGSEOAHDGZ-UHFFFAOYSA-N |