4-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
4-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
4-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0183 |
| Compound Name: | 4-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 450.51 |
| Molecular Formula: | C26 H27 F N2 O4 |
| Smiles: | CCOc1cc(CN2CCOc3ccc(cc3C2)C(NCc2ccccc2F)=O)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 4.0336 |
| logD: | 3.3108 |
| logSw: | -3.7682 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.087 |
| InChI Key: | ZHZDVILRKQCERD-UHFFFAOYSA-N |