ChemSpider 2D Image | 6-[({[4-(2-{[(2E)-3-(4-Nitrophenyl)-2-propenoyl]amino}ethyl)phenyl]sulfonyl}carbamoyl)amino]hexanoic acid | C24H28N4O8S

6-[({[4-(2-{[(2E)-3-(4-Nitrophenyl)-2-propenoyl]amino}ethyl)phenyl]sulfonyl}carbamoyl)amino]hexanoic acid

  • Molecular FormulaC24H28N4O8S
  • Average mass532.566 Da
  • Monoisotopic mass532.162781 Da
  • ChemSpider ID66105666

  • Double-bond stereo - Double-bond stereo

More details:

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

6-[({[4-(2-{[(2E)-3-(4-Nitrophenyl)-2-propenoyl]amino}ethyl)phenyl]sulfonyl}carbamoyl)amino]hexanoic acid [ACD/IUPAC Name]
6-[({[4-(2-{[(2E)-3-(4-Nitrophenyl)-2-propenoyl]amino}ethyl)phenyl]sulfonyl}carbamoyl)amino]hexansäure [German] [ACD/IUPAC Name]
Acide 6-[({[4-(2-{[(2E)-3-(4-nitrophényl)-2-propenoyl]amino}éthyl)phényl]sulfonyl}carbamoyl)amino]hexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 6-[[[[[4-[2-[[(2E)-3-(4-nitrophenyl)-1-oxo-2-propen-1-yl]amino]ethyl]phenyl]sulfonyl]amino]carbonyl]amino]- [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: 1.603
Molar Refractivity: 134.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 1.91
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.00
ACD/LogD (pH 7.4): -2.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 196 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 61.5±3.0 dyne/cm
Molar Volume: 392.1±3.0 cm3

Click to predict properties on the Chemicalize site


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