6,6-dimethyl-9-(4-methylphenyl)-2-(trifluoromethyl)-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-methylphenyl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
6,6-dimethyl-9-(4-methylphenyl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | 6456-0564 |
| Compound Name: | 6,6-dimethyl-9-(4-methylphenyl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 376.38 |
| Molecular Formula: | C19 H19 F3 N4 O |
| Smiles: | Cc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)Nc2nc(C(F)(F)F)nn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2625 |
| logD: | 0.4661 |
| logSw: | -4.3316 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.616 |
| InChI Key: | OACBYFKONPKCQU-HNNXBMFYSA-N |