6-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(4-chlorophenyl)methyl]-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-[(4-chlorophenyl)methyl]-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-[(4-chlorophenyl)methyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | F830-0099 |
| Compound Name: | 6-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(4-chlorophenyl)methyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Molecular Weight: | 463.84 |
| Molecular Formula: | C21 H14 Cl N7 O4 |
| Smiles: | C(c1nc(c2ccc3c(c2)OCO3)no1)N1C=Nc2c(C1=O)nnn2Cc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.1729 |
| logD: | 3.1729 |
| logSw: | -3.4845 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 101.48 |
| InChI Key: | OLTVPMYREQEEIF-UHFFFAOYSA-N |