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 |