6-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-3-phenyl-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Chemical Structure Depiction of
6-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-3-phenyl-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
6-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-3-phenyl-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | F830-0399 |
| Compound Name: | 6-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-3-phenyl-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Molecular Weight: | 415.37 |
| Molecular Formula: | C20 H13 N7 O4 |
| Smiles: | C(c1nc(c2ccc3c(c2)OCO3)no1)N1C=Nc2c(C1=O)nnn2c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.564 |
| logD: | 2.564 |
| logSw: | -3.0774 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 101.617 |
| InChI Key: | KIFNYVIOPBWRQM-UHFFFAOYSA-N |