benzyl [3-(3-chlorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetate
Chemical Structure Depiction of
benzyl [3-(3-chlorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetate
benzyl [3-(3-chlorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetate
Compound characteristics
| Compound ID: | C656-0524 |
| Compound Name: | benzyl [3-(3-chlorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetate |
| Molecular Weight: | 395.8 |
| Molecular Formula: | C19 H14 Cl N5 O3 |
| Smiles: | C(C(=O)OCc1ccccc1)N1C=Nc2c(C1=O)nnn2c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.8374 |
| logD: | 2.8374 |
| logSw: | -3.2003 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.692 |
| InChI Key: | OFWHLJUMDBVDHU-UHFFFAOYSA-N |