N-cyclopentyl-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-cyclopentyl-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-cyclopentyl-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: | F471-0934 |
| Compound Name: | N-cyclopentyl-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: | 513.52 |
| Molecular Formula: | C26 H26 F3 N5 O3 |
| Smiles: | CC(C)N1C2=NN(Cc3cccc(c3)C(F)(F)F)C(N2c2cc(ccc2C1=O)C(NC1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3784 |
| logD: | 4.3784 |
| logSw: | -4.4008 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.432 |
| InChI Key: | VJZHCBXOUNAGNF-UHFFFAOYSA-N |