4-[(2,3-difluorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
4-[(2,3-difluorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
4-[(2,3-difluorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0125 |
| Compound Name: | 4-[(2,3-difluorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 422.47 |
| Molecular Formula: | C25 H24 F2 N2 O2 |
| Smiles: | Cc1ccc(CNC(c2ccc3c(CN(CCO3)Cc3cccc(c3F)F)c2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9008 |
| logD: | 4.8749 |
| logSw: | -4.645 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.328 |
| InChI Key: | OYLDULFORRZLBQ-UHFFFAOYSA-N |