pentyl 5-methyl-7-(2,3,4-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
pentyl 5-methyl-7-(2,3,4-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
pentyl 5-methyl-7-(2,3,4-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
Compound ID: | C202-0076 |
Compound Name: | pentyl 5-methyl-7-(2,3,4-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
Molecular Weight: | 416.48 |
Molecular Formula: | C21 H28 N4 O5 |
Smiles: | CCCCCOC(C1C(c2ccc(c(c2OC)OC)OC)n2c(NC=1C)ncn2)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.873 |
logD: | 3.5847 |
logSw: | -3.916 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 82.102 |
InChI Key: | WQWQPAPKPMBCIP-KRWDZBQOSA-N |