rel-(5R,7S)-7-(4-chlorophenyl)-5-(4-ethylphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-7-(4-chlorophenyl)-5-(4-ethylphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
rel-(5R,7S)-7-(4-chlorophenyl)-5-(4-ethylphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | 6321-0048 |
| Compound Name: | rel-(5R,7S)-7-(4-chlorophenyl)-5-(4-ethylphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 338.84 |
| Molecular Formula: | C19 H19 Cl N4 |
| Smiles: | CCc1ccc(cc1)[C@@H]1C[C@H](c2ccc(cc2)[Cl])n2c(N1)ncn2 |
| Stereo: | RELATIVE |
| logP: | 4.9308 |
| logD: | 4.9307 |
| logSw: | -5.1696 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.069 |
| InChI Key: | MDKKHYWHGKOCHI-ROUUACIJSA-N |