rel-(5R,7S)-7-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-7-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
rel-(5R,7S)-7-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K832-2965 |
| Compound Name: | rel-(5R,7S)-7-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 375.26 |
| Molecular Formula: | C18 H16 Cl2 N4 O |
| Smiles: | COc1ccc(cc1)[C@@H]1C[C@H](c2ccc(cc2[Cl])[Cl])n2c(N1)ncn2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.8474 |
| logD: | 4.8473 |
| logSw: | -5.0695 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.612 |
| InChI Key: | AEKBBMOXLXIZAP-IRXDYDNUSA-N |