2-[3-(3-chlorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(2,4-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-[3-(3-chlorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(2,4-dimethoxyphenyl)acetamide
2-[3-(3-chlorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(2,4-dimethoxyphenyl)acetamide
Compound characteristics
Compound ID: | C656-0486 |
Compound Name: | 2-[3-(3-chlorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(2,4-dimethoxyphenyl)acetamide |
Molecular Weight: | 440.84 |
Molecular Formula: | C20 H17 Cl N6 O4 |
Smiles: | COc1ccc(c(c1)OC)NC(CN1C=Nc2c(C1=O)nnn2c1cccc(c1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 2.2729 |
logD: | 2.2729 |
logSw: | -3.3476 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 90.784 |
InChI Key: | OTFAWBYBLLFHEN-UHFFFAOYSA-N |