3-[(2-methylphenyl)methyl]-6-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Chemical Structure Depiction of
3-[(2-methylphenyl)methyl]-6-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
3-[(2-methylphenyl)methyl]-6-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | F830-0044 |
| Compound Name: | 3-[(2-methylphenyl)methyl]-6-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Molecular Weight: | 467.41 |
| Molecular Formula: | C22 H16 F3 N7 O2 |
| Smiles: | Cc1ccccc1Cn1c2c(C(N(Cc3nc(c4ccc(cc4)C(F)(F)F)no3)C=N2)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 4.3213 |
| logD: | 4.3212 |
| logSw: | -4.3702 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 84.365 |
| InChI Key: | KPRNOCLNDUVWIL-UHFFFAOYSA-N |