AC1N9BNI
N-[[4-(3,4-dichlorophenyl)-5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: F0507-0056|N-((4-(3,4-dichlorophenyl)-5-((2-((2-fluorophenyl)amino)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzamide|N-[[4-(3,4-dichlorophenyl)-5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide|N-{[4-(3,4-dichlorophenyl)-5-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
| Molecular Formula | C24H18Cl2FN5O2S |
|---|---|
| Molecular Weight | 529.0542 g/mol |
| LogP | 5.374 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 529.0542 |
| Monoisotopic Mass | 529.0542 |
| Heavy Atoms | 35 |
| Complexity | 1367.2941 |
Chemical Identifiers
| CAS Number | 391897-44-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)SCC(=O)NC4=CC=CC=C4F |
Product Overview
AC1N9BNI (CAS 391897-44-2), with molecular formula C24H18Cl2FN5O2S and molecular weight 529.0542 g/mol. IUPAC: N-[[4-(3,4-dichlorophenyl)-5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide.
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