ChemSpider 2D Image | 4-(2-Methyl-2-propanyl)-N-{3-[(Z)-({[3-(1H-pyrrol-1-yl)-5-(trifluoromethyl)-1-benzothiophen-2-yl]carbonyl}hydrazono)methyl]phenyl}benzenesulfonamide | C31H27F3N4O3S2

4-(2-Methyl-2-propanyl)-N-{3-[(Z)-({[3-(1H-pyrrol-1-yl)-5-(trifluoromethyl)-1-benzothiophen-2-yl]carbonyl}hydrazono)methyl]phenyl}benzenesulfonamide

  • Molecular FormulaC31H27F3N4O3S2
  • Average mass624.696 Da
  • Monoisotopic mass624.147644 Da
  • ChemSpider ID101984873

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-(2-Methyl-2-propanyl)-N-{3-[(Z)-({[3-(1H-pyrrol-1-yl)-5-(trifluormethyl)-1-benzothiophen-2-yl]carbonyl}hydrazono)methyl]phenyl}benzolsulfonamid [German] [ACD/IUPAC Name]
4-(2-Methyl-2-propanyl)-N-{3-[(Z)-({[3-(1H-pyrrol-1-yl)-5-(trifluoromethyl)-1-benzothiophen-2-yl]carbonyl}hydrazono)methyl]phenyl}benzenesulfonamide [ACD/IUPAC Name]
4-(2-Méthyl-2-propanyl)-N-{3-[(Z)-({[3-(1H-pyrrol-1-yl)-5-(trifluorométhyl)-1-benzothiophén-2-yl]carbonyl}hydrazono)méthyl]phényl}benzènesulfonamide [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxylic acid, 3-(1H-pyrrol-1-yl)-5-(trifluoromethyl)-, 2-[(1Z)-[3-[[[4-(1,1-dimethylethyl)phenyl]sulfonyl]amino]phenyl]methylene]hydrazide [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.630
Molar Refractivity: 164.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.48
ACD/LogD (pH 5.5): 6.82
ACD/BCF (pH 5.5): 89335.50
ACD/KOC (pH 5.5): 121644.79
ACD/LogD (pH 7.4): 6.71
ACD/BCF (pH 7.4): 70243.52
ACD/KOC (pH 7.4): 95647.95
Polar Surface Area: 129 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 47.8±7.0 dyne/cm
Molar Volume: 461.9±7.0 cm3

Click to predict properties on the Chemicalize site


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