9-(4-ethoxy-3-methoxyphenyl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(4-ethoxy-3-methoxyphenyl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(4-ethoxy-3-methoxyphenyl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
Compound ID: | K832-3490 |
Compound Name: | 9-(4-ethoxy-3-methoxyphenyl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
Molecular Weight: | 408.38 |
Molecular Formula: | C19 H19 F3 N4 O3 |
Smiles: | CCOc1ccc(cc1OC)C1C2=C(CCCC2=O)Nc2nc(C(F)(F)F)nn12 |
Stereo: | RACEMIC MIXTURE |
logP: | 3.2418 |
logD: | -0.1633 |
logSw: | -3.5157 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.457 |
InChI Key: | DGPUBDXPSOYZDD-INIZCTEOSA-N |