5-(4-chlorophenyl)-7-(3-nitrophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
5-(4-chlorophenyl)-7-(3-nitrophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
5-(4-chlorophenyl)-7-(3-nitrophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K832-1447 |
| Compound Name: | 5-(4-chlorophenyl)-7-(3-nitrophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 355.78 |
| Molecular Formula: | C17 H14 Cl N5 O2 |
| Smiles: | C1C(c2ccc(cc2)[Cl])Nc2ncnn2C1c1cccc(c1)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.874 |
| logD: | 3.8739 |
| logSw: | -4.6299 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.45 |
| InChI Key: | GQLSOLCBAXERMG-UHFFFAOYSA-N |