1-[7-(4-chlorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-2,5-dione--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-[7-(4-chlorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-2,5-dione--hydrogen chloride (1/1)
1-[7-(4-chlorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-2,5-dione--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D413-0021 |
| Compound Name: | 1-[7-(4-chlorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-2,5-dione--hydrogen chloride (1/1) |
| Molecular Weight: | 442.3 |
| Molecular Formula: | C21 H16 Cl N5 O2 |
| Salt: | HCl |
| Smiles: | C1CC(N(C1=O)c1nc2NC(=CC(c3ccc(cc3)[Cl])n2n1)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0159 |
| logD: | 3.0156 |
| logSw: | -3.8645 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.054 |
| InChI Key: | DTONFJGMSYVPJW-KRWDZBQOSA-N |