N-benzyl-N~2~-butyl-N-[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-{[2-(trifluoromethyl)phenyl]carbamoyl}glycinamide
Chemical Structure Depiction of
N-benzyl-N~2~-butyl-N-[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-{[2-(trifluoromethyl)phenyl]carbamoyl}glycinamide
N-benzyl-N~2~-butyl-N-[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-{[2-(trifluoromethyl)phenyl]carbamoyl}glycinamide
Compound characteristics
| Compound ID: | V002-3751 |
| Compound Name: | N-benzyl-N~2~-butyl-N-[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-{[2-(trifluoromethyl)phenyl]carbamoyl}glycinamide |
| Molecular Weight: | 579.62 |
| Molecular Formula: | C32 H32 F3 N3 O4 |
| Smiles: | CCCCN(CC(N(CC1=COc2ccc(C)cc2C1=O)Cc1ccccc1)=O)C(Nc1ccccc1C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1975 |
| logD: | 6.1975 |
| logSw: | -5.3924 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.128 |
| InChI Key: | RASBYVAOLAAZQU-UHFFFAOYSA-N |