benzyl {3-[(4-chlorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetate
Chemical Structure Depiction of
benzyl {3-[(4-chlorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetate
benzyl {3-[(4-chlorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetate
Compound characteristics
| Compound ID: | C656-0294 |
| Compound Name: | benzyl {3-[(4-chlorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetate |
| Molecular Weight: | 409.83 |
| Molecular Formula: | C20 H16 Cl N5 O3 |
| Smiles: | C(C(=O)OCc1ccccc1)N1C=Nc2c(C1=O)nnn2Cc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.6903 |
| logD: | 2.6903 |
| logSw: | -3.1971 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.556 |
| InChI Key: | OBIUHZQJIPUZAR-UHFFFAOYSA-N |