4-[(3-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
4-[(3-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
4-[(3-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0073 |
| Compound Name: | 4-[(3-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 404.48 |
| Molecular Formula: | C25 H25 F N2 O2 |
| Smiles: | Cc1ccc(CNC(c2ccc3c(CN(CCO3)Cc3cccc(c3)F)c2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5298 |
| logD: | 4.4679 |
| logSw: | -4.2775 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.328 |
| InChI Key: | NLLRVPFGVQDMPG-UHFFFAOYSA-N |