3-[(4-methylphenyl)methyl]-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)methyl]-6-{[4-(trifluoromethyl)phenyl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
3-[(4-methylphenyl)methyl]-6-{[4-(trifluoromethyl)phenyl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | C656-0072 |
| Compound Name: | 3-[(4-methylphenyl)methyl]-6-{[4-(trifluoromethyl)phenyl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Molecular Weight: | 399.37 |
| Molecular Formula: | C20 H16 F3 N5 O |
| Smiles: | Cc1ccc(Cn2c3c(C(N(Cc4ccc(cc4)C(F)(F)F)C=N3)=O)nn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3188 |
| logD: | 3.3188 |
| logSw: | -3.3403 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.022 |
| InChI Key: | MFZCGYLFZJGUPZ-UHFFFAOYSA-N |