N-[(2-fluorophenyl)methyl]-4-[(3,4,5-trifluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
N-[(2-fluorophenyl)methyl]-4-[(3,4,5-trifluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
N-[(2-fluorophenyl)methyl]-4-[(3,4,5-trifluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0152 |
| Compound Name: | N-[(2-fluorophenyl)methyl]-4-[(3,4,5-trifluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 444.43 |
| Molecular Formula: | C24 H20 F4 N2 O2 |
| Smiles: | C(c1ccccc1F)NC(c1ccc2c(CN(CCO2)Cc2cc(c(c(c2)F)F)F)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7134 |
| logD: | 4.699 |
| logSw: | -4.7179 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.328 |
| InChI Key: | KMCGATKLUOCYGK-UHFFFAOYSA-N |