6,6-dimethyl-9-[4-(trifluoromethyl)phenyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
6,6-dimethyl-9-[4-(trifluoromethyl)phenyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
6,6-dimethyl-9-[4-(trifluoromethyl)phenyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | 6359-0270 |
| Compound Name: | 6,6-dimethyl-9-[4-(trifluoromethyl)phenyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 362.35 |
| Molecular Formula: | C18 H17 F3 N4 O |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)C(F)(F)F)n3c(N2)ncn3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6342 |
| logD: | 3.2616 |
| logSw: | -3.907 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.557 |
| InChI Key: | ZKIDLZUXOXQDTH-HNNXBMFYSA-N |