AC1N2VE2
3-fluoro-N-[[5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: F0507-1064|3-fluoro-N-((5-((2-oxo-2-(m-tolylamino)ethyl)thio)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)methyl)benzamide|3-fluoro-N-{[5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}benzamide|3-fluoro-N-[[5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]benzamide
| Molecular Formula | C26H21F4N5O2S |
|---|---|
| Molecular Weight | 543.1352 g/mol |
| LogP | 5.39442 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 543.1352 |
| Monoisotopic Mass | 543.1352 |
| Heavy Atoms | 38 |
| Complexity | 1472.0265 |
Chemical Identifiers
| CAS Number | 393840-53-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC(=C3)C(F)(F)F)CNC(=O)C4=CC(=CC=C4)F |
Product Overview
AC1N2VE2 (CAS 393840-53-4), with molecular formula C26H21F4N5O2S and molecular weight 543.1352 g/mol. IUPAC: 3-fluoro-N-[[5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]benzamide.
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