rel-(5R,7S)-5-(4-chlorophenyl)-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-5-(4-chlorophenyl)-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
rel-(5R,7S)-5-(4-chlorophenyl)-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | 6321-0004 |
| Compound Name: | rel-(5R,7S)-5-(4-chlorophenyl)-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 310.78 |
| Molecular Formula: | C17 H15 Cl N4 |
| Smiles: | C1[C@@H](c2ccc(cc2)[Cl])Nc2ncnn2[C@H]1c1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.0045 |
| logD: | 4.0044 |
| logSw: | -4.7337 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.069 |
| InChI Key: | PYZUEWQLYBBSCE-HZPDHXFCSA-N |