heptyl 7-(2,3-dimethoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
heptyl 7-(2,3-dimethoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
heptyl 7-(2,3-dimethoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
Compound ID: | C202-0575 |
Compound Name: | heptyl 7-(2,3-dimethoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
Molecular Weight: | 414.5 |
Molecular Formula: | C22 H30 N4 O4 |
Smiles: | CCCCCCCOC(C1C(c2cccc(c2OC)OC)n2c(NC=1C)ncn2)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.8231 |
logD: | 4.5348 |
logSw: | -4.6144 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 74.385 |
InChI Key: | SEQDETOZKMGUJH-IBGZPJMESA-N |