2-[4-(3-methylbutyl)-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-[4-(3-methylbutyl)-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
2-[4-(3-methylbutyl)-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | F365-0067 |
| Compound Name: | 2-[4-(3-methylbutyl)-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl]-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 473.45 |
| Molecular Formula: | C23 H22 F3 N5 O3 |
| Smiles: | CC(C)CCN1C2=NN(CC(Nc3ccccc3C(F)(F)F)=O)C(N2c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0999 |
| logD: | 4.0999 |
| logSw: | -4.1838 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.637 |
| InChI Key: | NPTIMDPGKGKXNN-UHFFFAOYSA-N |