N-(2-methylpropyl)-1,5-dioxo-4-(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
N-(2-methylpropyl)-1,5-dioxo-4-(propan-2-yl)-2-{[3-(trifluoromethyl)phenyl]methyl}-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-(2-methylpropyl)-1,5-dioxo-4-(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: | F471-0988 |
| Compound Name: | N-(2-methylpropyl)-1,5-dioxo-4-(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: | 501.51 |
| Molecular Formula: | C25 H26 F3 N5 O3 |
| Smiles: | CC(C)CNC(c1ccc2C(N(C(C)C)C3=NN(Cc4cccc(c4)C(F)(F)F)C(N3c2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0864 |
| logD: | 4.0864 |
| logSw: | -4.3378 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.612 |
| InChI Key: | DZYKFURPMBYNEZ-UHFFFAOYSA-N |