4-[(3-fluorophenyl)acetyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
4-[(3-fluorophenyl)acetyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
4-[(3-fluorophenyl)acetyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M248-0073 |
| Compound Name: | 4-[(3-fluorophenyl)acetyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 432.49 |
| Molecular Formula: | C26 H25 F N2 O3 |
| Smiles: | Cc1ccc(CNC(c2ccc3c(CN(CCO3)C(Cc3cccc(c3)F)=O)c2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4025 |
| logD: | 4.4024 |
| logSw: | -4.366 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.717 |
| InChI Key: | MJAYQEMHKHTYAX-UHFFFAOYSA-N |