4-(3-methylbutyl)-1,5-dioxo-N-(propan-2-yl)-2-{[3-(trifluoromethyl)phenyl]methyl}-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
4-(3-methylbutyl)-1,5-dioxo-N-(propan-2-yl)-2-{[3-(trifluoromethyl)phenyl]methyl}-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
4-(3-methylbutyl)-1,5-dioxo-N-(propan-2-yl)-2-{[3-(trifluoromethyl)phenyl]methyl}-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F471-0350 |
| Compound Name: | 4-(3-methylbutyl)-1,5-dioxo-N-(propan-2-yl)-2-{[3-(trifluoromethyl)phenyl]methyl}-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 515.53 |
| Molecular Formula: | C26 H28 F3 N5 O3 |
| Smiles: | CC(C)CCN1C2=NN(Cc3cccc(c3)C(F)(F)F)C(N2c2cc(ccc2C1=O)C(NC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5333 |
| logD: | 4.5333 |
| logSw: | -4.2589 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.844 |
| InChI Key: | KCBDKULXDOAKKC-UHFFFAOYSA-N |