rel-(5R,7S)-7-(2-chlorophenyl)-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-chlorophenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
rel-(5R,7S)-7-(2-chlorophenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | 6321-0021 |
| Compound Name: | rel-(5R,7S)-7-(2-chlorophenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 340.81 |
| Molecular Formula: | C18 H17 Cl N4 O |
| Smiles: | COc1ccc(cc1)[C@@H]1C[C@H](c2ccccc2[Cl])n2c(N1)ncn2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9983 |
| logD: | 3.9982 |
| logSw: | -4.448 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.612 |
| InChI Key: | KFSBQJHFBFQSQT-IRXDYDNUSA-N |