N-[(4-methylphenyl)methyl]-4-[(3,4,5-trifluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-4-[(3,4,5-trifluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
N-[(4-methylphenyl)methyl]-4-[(3,4,5-trifluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0082 |
| Compound Name: | N-[(4-methylphenyl)methyl]-4-[(3,4,5-trifluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 440.46 |
| Molecular Formula: | C25 H23 F3 N2 O2 |
| Smiles: | Cc1ccc(CNC(c2ccc3c(CN(CCO3)Cc3cc(c(c(c3)F)F)F)c2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7624 |
| logD: | 4.748 |
| logSw: | -4.5117 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.328 |
| InChI Key: | AZXVBBRQHPWSOI-UHFFFAOYSA-N |