3-[(2-chlorophenyl)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-[(2-chlorophenyl)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-[(2-chlorophenyl)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: | F830-0765 |
| Compound Name: | 3-[(2-chlorophenyl)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: | 477.91 |
| Molecular Formula: | C23 H20 Cl N7 O3 |
| Smiles: | CC(C)Oc1ccc(cc1)c1nc(CN2C=Nc3c(C2=O)nnn3Cc2ccccc2[Cl])on1 |
| Stereo: | ACHIRAL |
| logP: | 3.9803 |
| logD: | 3.9803 |
| logSw: | -4.2667 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 91.168 |
| InChI Key: | HWIGHNAKYDZFIB-UHFFFAOYSA-N |