ChemSpider 2D Image | (2E)-4-Oxo-4-[(4-{[(2,3,4-trifluorophenyl)carbamoyl]sulfamoyl}benzyl)amino]-2-butenoic acid | C18H14F3N3O6S

(2E)-4-Oxo-4-[(4-{[(2,3,4-trifluorophenyl)carbamoyl]sulfamoyl}benzyl)amino]-2-butenoic acid

  • Molecular FormulaC18H14F3N3O6S
  • Average mass457.380 Da
  • Monoisotopic mass457.055542 Da
  • ChemSpider ID66044707

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-4-Oxo-4-[(4-{[(2,3,4-trifluorophenyl)carbamoyl]sulfamoyl}benzyl)amino]-2-butenoic acid [ACD/IUPAC Name]
(2E)-4-Oxo-4-[(4-{[(2,3,4-trifluorphenyl)carbamoyl]sulfamoyl}benzyl)amino]-2-butensäure [German] [ACD/IUPAC Name]
2-Butenoic acid, 4-oxo-4-[[[4-[[[[(2,3,4-trifluorophenyl)amino]carbonyl]amino]sulfonyl]phenyl]methyl]amino]-, (2E)- [ACD/Index Name]
Acide (2E)-4-oxo-4-[(4-{[(2,3,4-trifluorophényl)carbamoyl]sulfamoyl}benzyl)amino]-2-buténoïque [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.614
Molar Refractivity: 101.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): -2.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 150 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 64.7±3.0 dyne/cm
Molar Volume: 290.1±3.0 cm3

Click to predict properties on the Chemicalize site


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