dimethyl 5-[3-(2,5,7-trimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamido]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[3-(2,5,7-trimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamido]benzene-1,3-dicarboxylate
dimethyl 5-[3-(2,5,7-trimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamido]benzene-1,3-dicarboxylate
Compound characteristics
Compound ID: | C561-1865 |
Compound Name: | dimethyl 5-[3-(2,5,7-trimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamido]benzene-1,3-dicarboxylate |
Molecular Weight: | 425.44 |
Molecular Formula: | C21 H23 N5 O5 |
Smiles: | Cc1c(CCC(Nc2cc(cc(c2)C(=O)OC)C(=O)OC)=O)c(C)n2c(n1)nc(C)n2 |
Stereo: | ACHIRAL |
logP: | 2.3211 |
logD: | 2.3206 |
logSw: | -2.7339 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 96.214 |
InChI Key: | QYQLPAKTBLZWPI-UHFFFAOYSA-N |