4-[(3,4-dimethoxyphenyl)methyl]-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
4-[(3,4-dimethoxyphenyl)methyl]-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
4-[(3,4-dimethoxyphenyl)methyl]-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0169 |
| Compound Name: | 4-[(3,4-dimethoxyphenyl)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: | COc1ccc(CN2CCOc3ccc(cc3C2)C(NCc2ccccc2F)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.9316 |
| logD: | 3.2089 |
| logSw: | -4.0138 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.589 |
| InChI Key: | LCFQZQLHNBCGAD-UHFFFAOYSA-N |