AC1O1G4O
2-benzylsulfanyl-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Also Known As: Oprea1_806785|F0576-0600|2-(benzylsulfanyl)-5-methyl-N-(pyridin-3-yl)-7-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide|2-(benzylthio)-5-methyl-N-(pyridin-3-yl)-7-(thiophen-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide|2-benzylsulfanyl-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide|2-benzylsulfanyl-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
| Molecular Formula | C23H20N6OS2 |
|---|---|
| Molecular Weight | 460.114 g/mol |
| LogP | 4.9545 |
| Topological Polar Surface Area | 84.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.114 |
| Monoisotopic Mass | 460.114 |
| Heavy Atoms | 32 |
| Complexity | 1252.4106 |
Chemical Identifiers
| CAS Number | 536985-83-8 |
|---|---|
| SMILES | CC1=C(C(N2C(=NC(=N2)SCC3=CC=CC=C3)N1)C4=CC=CS4)C(=O)NC5=CN=CC=C5 |
Product Overview
AC1O1G4O (CAS 536985-83-8), with molecular formula C23H20N6OS2 and molecular weight 460.114 g/mol. IUPAC: 2-benzylsulfanyl-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
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