ChemSpider 2D Image | (2E)-N-[2-(4-{[(3-Isopropoxypropyl)carbamoyl]sulfamoyl}phenyl)ethyl]-3-(5-nitro-2-thienyl)acrylamide | C22H28N4O7S2

(2E)-N-[2-(4-{[(3-Isopropoxypropyl)carbamoyl]sulfamoyl}phenyl)ethyl]-3-(5-nitro-2-thienyl)acrylamide

  • Molecular FormulaC22H28N4O7S2
  • Average mass524.610 Da
  • Monoisotopic mass524.139954 Da
  • ChemSpider ID66107598

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-N-[2-(4-{[(3-Isopropoxypropyl)carbamoyl]sulfamoyl}phenyl)ethyl]-3-(5-nitro-2-thienyl)acrylamid [German] [ACD/IUPAC Name]
(2E)-N-[2-(4-{[(3-Isopropoxypropyl)carbamoyl]sulfamoyl}phenyl)ethyl]-3-(5-nitro-2-thienyl)acrylamide [ACD/IUPAC Name]
(2E)-N-[2-(4-{[(3-Isopropoxypropyl)carbamoyl]sulfamoyl}phényl)éthyl]-3-(5-nitro-2-thiényl)acrylamide [French] [ACD/IUPAC Name]
2-Propenamide, N-[2-[4-[[[[[3-(1-methylethoxy)propyl]amino]carbonyl]amino]sulfonyl]phenyl]ethyl]-3-(5-nitro-2-thienyl)-, (2E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.590
Molar Refractivity: 132.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 8.42
ACD/KOC (pH 5.5): 91.80
ACD/LogD (pH 7.4): 0.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.71
Polar Surface Area: 196 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 393.7±3.0 cm3

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