AC1O1FYR
2-benzylsulfanyl-5-methyl-N-pyridin-3-yl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Also Known As: Oprea1_316654|2-(BENZYLSULFANYL)-5-METHYL-N-(PYRIDIN-3-YL)-7-(3,4,5-TRIMETHOXYPHENYL)-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXAMIDE|F0576-0595|2-(benzylthio)-5-methyl-N-pyridin-3-yl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide|2-benzylsulfanyl-5-methyl-N-pyridin-3-yl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide|2-(benzylthio)-5-methyl-N-(pyridin-3-yl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide|2-benzylsulfanyl-5-methyl-N-pyridin-3-yl-7-(3,4,5-trimethoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
| Molecular Formula | C28H28N6O4S |
|---|---|
| Molecular Weight | 544.1893 g/mol |
| LogP | 4.9188 |
| Topological Polar Surface Area | 112.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 544.1893 |
| Monoisotopic Mass | 544.1893 |
| Heavy Atoms | 39 |
| Complexity | 1482.2395 |
Chemical Identifiers
| CAS Number | 536985-68-9 |
|---|---|
| SMILES | CC1=C(C(N2C(=NC(=N2)SCC3=CC=CC=C3)N1)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)NC5=CN=CC=C5 |
Product Overview
AC1O1FYR (CAS 536985-68-9), with molecular formula C28H28N6O4S and molecular weight 544.1893 g/mol. IUPAC: 2-benzylsulfanyl-5-methyl-N-pyridin-3-yl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
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