4-[(2,4-dimethoxyphenyl)methyl]-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
4-[(2,4-dimethoxyphenyl)methyl]-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
4-[(2,4-dimethoxyphenyl)methyl]-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0146 |
| Compound Name: | 4-[(2,4-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)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.463 |
| logD: | 4.3978 |
| logSw: | -4.2899 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.503 |
| InChI Key: | PQRYDPMNOXBPLC-UHFFFAOYSA-N |