9-(2-methoxyphenyl)-6,6-dimethyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(2-methoxyphenyl)-6,6-dimethyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(2-methoxyphenyl)-6,6-dimethyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | K832-3438 |
| Compound Name: | 9-(2-methoxyphenyl)-6,6-dimethyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 392.38 |
| Molecular Formula: | C19 H19 F3 N4 O2 |
| Smiles: | CC1(C)CC2=C(C(c3ccccc3OC)n3c(N2)nc(C(F)(F)F)n3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9706 |
| logD: | 0.1742 |
| logSw: | -4.2967 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.247 |
| InChI Key: | QAPKHIOHKPOLLY-HNNXBMFYSA-N |