9-(2-ethoxyphenyl)-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-ethoxyphenyl)-6,6-dimethyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(2-ethoxyphenyl)-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: | K832-3462 |
| Compound Name: | 9-(2-ethoxyphenyl)-6,6-dimethyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 406.41 |
| Molecular Formula: | C20 H21 F3 N4 O2 |
| Smiles: | CCOc1ccccc1C1C2=C(CC(C)(C)CC2=O)Nc2nc(C(F)(F)F)nn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3815 |
| logD: | 0.585 |
| logSw: | -4.3798 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.826 |
| InChI Key: | WTWSKEHMKKQIJW-INIZCTEOSA-N |