AC1O1FTX
2-benzylsulfanyl-5-methyl-7-(4-nitrophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Also Known As: Oprea1_169853|2-(benzylsulfanyl)-5-methyl-7-(4-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide|SR-01000119778-1|F0576-0536|2-benzylsulfanyl-5-methyl-7-(4-nitrophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide|2-(benzylthio)-5-methyl-7-(4-nitrophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide|2-benzylsulfanyl-5-methyl-7-(4-nitrophenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
| Molecular Formula | C20H18N6O3S |
|---|---|
| Molecular Weight | 422.11612 g/mol |
| LogP | 3.2528 |
| Topological Polar Surface Area | 128.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.11612 |
| Monoisotopic Mass | 422.11612 |
| Heavy Atoms | 30 |
| Complexity | 1141.1083 |
Chemical Identifiers
| CAS Number | 536983-83-2 |
|---|---|
| SMILES | CC1=C(C(N2C(=NC(=N2)SCC3=CC=CC=C3)N1)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)N |
Product Overview
AC1O1FTX (CAS 536983-83-2), with molecular formula C20H18N6O3S and molecular weight 422.11612 g/mol. IUPAC: 2-benzylsulfanyl-5-methyl-7-(4-nitrophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
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