3-[(4-methylphenyl)methyl]-6-[(3-{4-[(propan-2-yl)oxy]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-[(4-methylphenyl)methyl]-6-[(3-{4-[(propan-2-yl)oxy]phenyl}-1,2,4-oxadiazol-5-yl)methyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
3-[(4-methylphenyl)methyl]-6-[(3-{4-[(propan-2-yl)oxy]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: | F830-0817 |
| Compound Name: | 3-[(4-methylphenyl)methyl]-6-[(3-{4-[(propan-2-yl)oxy]phenyl}-1,2,4-oxadiazol-5-yl)methyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Molecular Weight: | 457.49 |
| Molecular Formula: | C24 H23 N7 O3 |
| Smiles: | CC(C)Oc1ccc(cc1)c1nc(CN2C=Nc3c(C2=O)nnn3Cc2ccc(C)cc2)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.7475 |
| logD: | 3.7474 |
| logSw: | -3.9275 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 91.168 |
| InChI Key: | FUWBBLCFZZCRCG-UHFFFAOYSA-N |