5-(4-chlorophenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
5-(4-chlorophenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
5-(4-chlorophenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
Compound ID: | K832-1079 |
Compound Name: | 5-(4-chlorophenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine |
Molecular Weight: | 398.85 |
Molecular Formula: | C20 H19 Cl N4 O3 |
Smiles: | COc1ccc(C2C=C(c3ccc(cc3)[Cl])Nc3ncnn23)c(c1OC)OC |
Stereo: | RACEMIC MIXTURE |
logP: | 4.17 |
logD: | 4.1608 |
logSw: | -4.5852 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 61.665 |
InChI Key: | WRKSHCVYOZSVSD-MRXNPFEDSA-N |