N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[2,4-dioxo-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-1,4-dihydroquinazolin-3(2H)-yl]pentanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[2,4-dioxo-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-1,4-dihydroquinazolin-3(2H)-yl]pentanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[2,4-dioxo-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-1,4-dihydroquinazolin-3(2H)-yl]pentanamide
Compound characteristics
| Compound ID: | C260-1012 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[2,4-dioxo-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-1,4-dihydroquinazolin-3(2H)-yl]pentanamide |
| Molecular Weight: | 596.56 |
| Molecular Formula: | C30 H27 F3 N4 O6 |
| Smiles: | C(CCN1C(c2ccccc2N(CC(Nc2cccc(c2)C(F)(F)F)=O)C1=O)=O)CC(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.135 |
| logD: | 4.1346 |
| logSw: | -4.2723 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.981 |
| InChI Key: | RCTAZFSBFJHPEM-UHFFFAOYSA-N |