rel-(5R,7S)-7-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-7-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
rel-(5R,7S)-7-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | 6321-0188 |
| Compound Name: | rel-(5R,7S)-7-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 350.42 |
| Molecular Formula: | C20 H22 N4 O2 |
| Smiles: | CCOc1ccc(cc1)[C@H]1C[C@@H](c2cccc(c2)OC)Nc2ncnn12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.7072 |
| logD: | 3.7071 |
| logSw: | -3.9609 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.736 |
| InChI Key: | IBYVMGIKGXBCNA-OALUTQOASA-N |