AC1LZZHP
2-[[5-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one
Also Known As: A3918/0166696|2-((5-mercapto-4-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)methyl)phthalazin-1(2H)-one|2-({5-SULFANYL-4-[2-(TRIFLUOROMETHYL)PHENYL]-4H-1,2,4-TRIAZOL-3-YL}METHYL)-1(2H)-PHTHALAZINONE|2-({5-thioxo-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}methyl)phthalazin-1(2H)-one|2-[[5-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one
| Molecular Formula | C18H12F3N5OS |
|---|---|
| Molecular Weight | 403.07147 g/mol |
| LogP | 3.70689 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.07147 |
| Monoisotopic Mass | 403.07147 |
| Heavy Atoms | 28 |
| Complexity | 1288.6062 |
Chemical Identifiers
| CAS Number | 879433-06-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=NN(C2=O)CC3=NNC(=S)N3C4=CC=CC=C4C(F)(F)F |
Product Overview
AC1LZZHP (CAS 879433-06-4), with molecular formula C18H12F3N5OS and molecular weight 403.07147 g/mol. IUPAC: 2-[[5-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one.
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