N-[(4-fluorophenyl)methyl]-N~2~-(2-methylpropyl)-N-[(4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-{[4-(trifluoromethyl)phenyl]carbamoyl}glycinamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-N~2~-(2-methylpropyl)-N-[(4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-{[4-(trifluoromethyl)phenyl]carbamoyl}glycinamide
N-[(4-fluorophenyl)methyl]-N~2~-(2-methylpropyl)-N-[(4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-{[4-(trifluoromethyl)phenyl]carbamoyl}glycinamide
Compound characteristics
| Compound ID: | V031-2681 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-N~2~-(2-methylpropyl)-N-[(4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-{[4-(trifluoromethyl)phenyl]carbamoyl}glycinamide |
| Molecular Weight: | 583.58 |
| Molecular Formula: | C31 H29 F4 N3 O4 |
| Smiles: | CC(C)CN(CC(N(CC1=COc2ccccc2C1=O)Cc1ccc(cc1)F)=O)C(Nc1ccc(cc1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7061 |
| logD: | 5.7061 |
| logSw: | -5.505 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.847 |
| InChI Key: | KMRWAWYJISDJJW-UHFFFAOYSA-N |