3-[(3-methylphenyl)methyl]-6-{[3-(4-methylphenyl)-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-[(3-methylphenyl)methyl]-6-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
3-[(3-methylphenyl)methyl]-6-{[3-(4-methylphenyl)-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: | F830-0274 |
| Compound Name: | 3-[(3-methylphenyl)methyl]-6-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Molecular Weight: | 413.44 |
| Molecular Formula: | C22 H19 N7 O2 |
| Smiles: | Cc1ccc(cc1)c1nc(CN2C=Nc3c(C2=O)nnn3Cc2cccc(C)c2)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.7275 |
| logD: | 3.7275 |
| logSw: | -3.9028 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 84.365 |
| InChI Key: | GHWSQFKCZRQZBG-UHFFFAOYSA-N |