9-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | K832-3467F |
| Compound Name: | 9-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 394.35 |
| Molecular Formula: | C18 H17 F3 N4 O3 |
| Smiles: | COc1ccc(cc1OC)C1C2=C(CCCC2=O)Nc2nc(C(F)(F)F)nn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8962 |
| logD: | -0.5089 |
| logSw: | -3.4377 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.877 |
| InChI Key: | GBDKBLGCKLTLFE-HNNXBMFYSA-N |