AC1N9BJK structure

AC1N9BJK

N-[[5-[2-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide

Also Known As: F0514-4524|N-((5-((2-(5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl)thio)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)methyl)furan-2-carboxamide|N-[[5-[2-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide|N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide

CAS: 393586-02-2
Molecular Formula C32H27F3N6O5S2
Molecular Weight 696.1436 g/mol
LogP 6.3578
Topological Polar Surface Area 124.08 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 10
Rotatable Bonds 11
Exact Mass 696.1436
Monoisotopic Mass 696.1436
Heavy Atoms 48
Complexity 1943.4559

Chemical Identifiers

CAS Number 393586-02-2
SMILES COC1=CC=CC(=C1OC)C2CC(=NN2C(=O)CSC3=NN=C(N3C4=CC=CC(=C4)C(F)(F)F)CNC(=O)C5=CC=CO5)C6=CC=CS6

Product Overview

AC1N9BJK (CAS 393586-02-2), with molecular formula C32H27F3N6O5S2 and molecular weight 696.1436 g/mol. IUPAC: N-[[5-[2-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide.

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