AC1LSTIO
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-7-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
Also Known As: KS-0000346X|2L-009|2-((3-Chloro-5-(trifluoromethyl)-2-pyridinyl)sulfanyl)-7-(4-nitrophenyl)(1,2,4)triazolo[1,5-a]pyrimidine|2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-7-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine|3-chloro-2-{[7-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl}-5-(trifluoromethyl)pyridine|2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-7-(4-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine
| Molecular Formula | C17H8ClF3N6O2S |
|---|---|
| Molecular Weight | 452.00702 g/mol |
| LogP | 4.9179 |
| Topological Polar Surface Area | 99.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 452.00702 |
| Monoisotopic Mass | 452.00702 |
| Heavy Atoms | 30 |
| Complexity | 1262.8212 |
Chemical Identifiers
| CAS Number | 338775-10-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC=NC3=NC(=NN23)SC4=C(C=C(C=N4)C(F)(F)F)Cl)[N+](=O)[O-] |
Product Overview
AC1LSTIO (CAS 338775-10-3), with molecular formula C17H8ClF3N6O2S and molecular weight 452.00702 g/mol. IUPAC: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-7-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.