9-(3,4-dimethoxyphenyl)-6-methyl-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)-6-methyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(3,4-dimethoxyphenyl)-6-methyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | 8018-8073 |
| Compound Name: | 9-(3,4-dimethoxyphenyl)-6-methyl-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: | CC1CC2=C(C(c3ccc(c(c3)OC)OC)n3c(N2)nc(C(F)(F)F)n3)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5936 |
| logD: | -0.0072 |
| logSw: | -3.8255 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.877 |
| InChI Key: | SMSXCNSRDBBQBP-UHFFFAOYSA-N |