ChemSpider 2D Image | (2E)-N-{2-[4-({[2-(1H-Imidazol-4-yl)ethyl]carbamoyl}sulfamoyl)phenyl]ethyl}-3-(5-nitro-2-thienyl)acrylamide | C21H22N6O6S2

(2E)-N-{2-[4-({[2-(1H-Imidazol-4-yl)ethyl]carbamoyl}sulfamoyl)phenyl]ethyl}-3-(5-nitro-2-thienyl)acrylamide

  • Molecular FormulaC21H22N6O6S2
  • Average mass518.566 Da
  • Monoisotopic mass518.104248 Da
  • ChemSpider ID66107614

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-N-{2-[4-({[2-(1H-Imidazol-4-yl)ethyl]carbamoyl}sulfamoyl)phenyl]ethyl}-3-(5-nitro-2-thienyl)acrylamid [German] [ACD/IUPAC Name]
(2E)-N-{2-[4-({[2-(1H-Imidazol-4-yl)ethyl]carbamoyl}sulfamoyl)phenyl]ethyl}-3-(5-nitro-2-thienyl)acrylamide [ACD/IUPAC Name]
(2E)-N-{2-[4-({[2-(1H-Imidazol-4-yl)éthyl]carbamoyl}sulfamoyl)phényl]éthyl}-3-(5-nitro-2-thiényl)acrylamide [French] [ACD/IUPAC Name]
2-Propenamide, N-[2-[4-[[[[[2-(1H-imidazol-4-yl)ethyl]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: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.651
Molar Refractivity: 129.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.13
ACD/LogD (pH 5.5): -0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.02
Polar Surface Area: 215 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 72.7±3.0 dyne/cm
Molar Volume: 353.2±3.0 cm3

Click to predict properties on the Chemicalize site


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