dimethyl 5-[2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamido]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamido]benzene-1,3-dicarboxylate
dimethyl 5-[2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamido]benzene-1,3-dicarboxylate
Compound characteristics
Compound ID: | E020-0361 |
Compound Name: | dimethyl 5-[2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamido]benzene-1,3-dicarboxylate |
Molecular Weight: | 398.37 |
Molecular Formula: | C19 H18 N4 O6 |
Smiles: | CC1=NN(CC(Nc2cc(cc(c2)C(=O)OC)C(=O)OC)=O)C(c2cccn12)=O |
Stereo: | ACHIRAL |
logP: | 2.6206 |
logD: | 2.6206 |
logSw: | -2.8323 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 95.796 |
InChI Key: | QPWQCEHPXDZYFR-UHFFFAOYSA-N |