9-(4-fluorophenyl)-6-methyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(4-fluorophenyl)-6-methyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(4-fluorophenyl)-6-methyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | 8020-1637 |
| Compound Name: | 9-(4-fluorophenyl)-6-methyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 366.32 |
| Molecular Formula: | C17 H14 F4 N4 O |
| Smiles: | CC1CC2=C(C(c3ccc(cc3)F)n3c(N2)nc(C(F)(F)F)n3)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.96 |
| logD: | 0.3592 |
| logSw: | -4.0922 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.616 |
| InChI Key: | MCBZHYOYHUADHG-UHFFFAOYSA-N |