Oprea1_372241
2-[(2-chlorophenyl)methylsulfanyl]-5-methyl-N-(2-methylphenyl)-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Also Known As: Oprea1_372241|NCGC00104116-01|C118-0506|F0576-0958|2-((2-chlorobenzyl)thio)-5-methyl-7-(pyridin-4-yl)-N-(o-tolyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide|2-{[(2-CHLOROPHENYL)METHYL]SULFANYL}-5-METHYL-N-(2-METHYLPHENYL)-7-(PYRIDIN-4-YL)-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXAMIDE|2-[(2-chlorophenyl)methylsulfanyl]-5-methyl-N-(2-methylphenyl)-7-pyridin-4-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide|2-[(2-chlorophenyl)methylsulfanyl]-5-methyl-N-(2-methylphenyl)-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
| Molecular Formula | C26H23ClN6OS |
|---|---|
| Molecular Weight | 502.13425 g/mol |
| LogP | 5.85482 |
| Topological Polar Surface Area | 84.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 502.13425 |
| Monoisotopic Mass | 502.13425 |
| Heavy Atoms | 35 |
| Complexity | 1418.3815 |
Chemical Identifiers
| CAS Number | 536992-16-2 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=C(NC3=NC(=NN3C2C4=CC=NC=C4)SCC5=CC=CC=C5Cl)C |
Product Overview
Oprea1_372241 (CAS 536992-16-2), with molecular formula C26H23ClN6OS and molecular weight 502.13425 g/mol. IUPAC: 2-[(2-chlorophenyl)methylsulfanyl]-5-methyl-N-(2-methylphenyl)-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
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