3-(4-methylphenyl)-6-{[4-(trifluoromethyl)phenyl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Chemical Structure Depiction of
3-(4-methylphenyl)-6-{[4-(trifluoromethyl)phenyl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
3-(4-methylphenyl)-6-{[4-(trifluoromethyl)phenyl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | C656-0369 |
| Compound Name: | 3-(4-methylphenyl)-6-{[4-(trifluoromethyl)phenyl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Molecular Weight: | 385.35 |
| Molecular Formula: | C19 H14 F3 N5 O |
| Smiles: | Cc1ccc(cc1)n1c2c(C(N(Cc3ccc(cc3)C(F)(F)F)C=N2)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 3.4262 |
| logD: | 3.4262 |
| logSw: | -3.4107 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.158 |
| InChI Key: | LQYUOWCEDWGJBN-UHFFFAOYSA-N |