N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-(3-methylbutyl)-N~2~-{[3-(trifluoromethyl)phenyl]carbamoyl}glycinamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-(3-methylbutyl)-N~2~-{[3-(trifluoromethyl)phenyl]carbamoyl}glycinamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-(3-methylbutyl)-N~2~-{[3-(trifluoromethyl)phenyl]carbamoyl}glycinamide
Compound characteristics
| Compound ID: | V001-5505 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-(3-methylbutyl)-N~2~-{[3-(trifluoromethyl)phenyl]carbamoyl}glycinamide |
| Molecular Weight: | 658.07 |
| Molecular Formula: | C33 H31 Cl F3 N3 O6 |
| Smiles: | CC(C)CCN(CC(N(CC1=COc2ccc(cc2C1=O)[Cl])Cc1ccc2c(c1)OCO2)=O)C(Nc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7786 |
| logD: | 6.7786 |
| logSw: | -6.3597 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.941 |
| InChI Key: | MAPXUXANQUVXGY-UHFFFAOYSA-N |