ChemSpider 2D Image | (2E)-4-[(4-{[(3-Nitrophenyl)carbamoyl]sulfamoyl}benzyl)amino]-4-oxo-2-butenoic acid | C18H16N4O8S

(2E)-4-[(4-{[(3-Nitrophenyl)carbamoyl]sulfamoyl}benzyl)amino]-4-oxo-2-butenoic acid

  • Molecular FormulaC18H16N4O8S
  • Average mass448.407 Da
  • Monoisotopic mass448.068878 Da
  • ChemSpider ID66044685

  • Double-bond stereo - Double-bond stereo

More details:

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

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

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.660
Molar Refractivity: 106.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.75
ACD/LogD (pH 5.5): -2.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 196 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 77.2±3.0 dyne/cm
Molar Volume: 289.3±3.0 cm3

Click to predict properties on the Chemicalize site


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