9-[4-(difluoromethoxy)-3-ethoxyphenyl]-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-[4-(difluoromethoxy)-3-ethoxyphenyl]-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-[4-(difluoromethoxy)-3-ethoxyphenyl]-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | K832-4169 |
| Compound Name: | 9-[4-(difluoromethoxy)-3-ethoxyphenyl]-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 404.42 |
| Molecular Formula: | C20 H22 F2 N4 O3 |
| Smiles: | CCOc1cc(ccc1OC(F)F)C1C2=C(CC(C)(C)CC2=O)Nc2ncnn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7603 |
| logD: | 2.3877 |
| logSw: | -3.1417 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.459 |
| InChI Key: | KZUSGCVSRCZDEI-KRWDZBQOSA-N |