rel-(5R,7S)-5-(4-ethylphenyl)-7-(4-methylphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-5-(4-ethylphenyl)-7-(4-methylphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
rel-(5R,7S)-5-(4-ethylphenyl)-7-(4-methylphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
Compound ID: | 6321-0096 |
Compound Name: | rel-(5R,7S)-5-(4-ethylphenyl)-7-(4-methylphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
Molecular Weight: | 318.42 |
Molecular Formula: | C20 H22 N4 |
Smiles: | CCc1ccc(cc1)[C@@H]1C[C@H](c2ccc(C)cc2)n2c(N1)ncn2 |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 4.7595 |
logD: | 4.7594 |
logSw: | -4.4312 |
Hydrogen bond acceptors count: | 2 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 39.069 |
InChI Key: | TTYGMDAQUSLJMP-OALUTQOASA-N |