(1-methyl-1H-pyrazol-4-yl)[2-(methylsulfanyl)-7-(3-nitrophenyl)-5-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanone
Chemical Structure Depiction of
(1-methyl-1H-pyrazol-4-yl)[2-(methylsulfanyl)-7-(3-nitrophenyl)-5-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanone
(1-methyl-1H-pyrazol-4-yl)[2-(methylsulfanyl)-7-(3-nitrophenyl)-5-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanone
Compound characteristics
| Compound ID: | Y500-9510 |
| Compound Name: | (1-methyl-1H-pyrazol-4-yl)[2-(methylsulfanyl)-7-(3-nitrophenyl)-5-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanone |
| Molecular Weight: | 465.41 |
| Molecular Formula: | C18 H14 F3 N7 O3 S |
| Smiles: | Cn1cc(cn1)C(C1C(c2cccc(c2)[N+]([O-])=O)n2c(NC=1C(F)(F)F)nc(n2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.162 |
| logD: | 1.4449 |
| logSw: | -3.4186 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.93 |
| InChI Key: | JQTBYRZQAWRQGW-ZDUSSCGKSA-N |