4-[(4-ethoxyphenyl)methyl]-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
4-[(4-ethoxyphenyl)methyl]-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
4-[(4-ethoxyphenyl)methyl]-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0204 |
| Compound Name: | 4-[(4-ethoxyphenyl)methyl]-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 434.51 |
| Molecular Formula: | C26 H27 F N2 O3 |
| Smiles: | CCOc1ccc(CN2CCOc3ccc(cc3C2)C(NCc2ccccc2F)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7276 |
| logD: | 4.6657 |
| logSw: | -4.337 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.452 |
| InChI Key: | VNQLXARRWBFAQU-UHFFFAOYSA-N |