ChemSpider 2D Image | (2E,2'E)-N,N'-(Methylenedi-4,1-cyclohexanediyl)bis[2-cyano-3-(3,4-dihydroxyphenyl)acrylamide] | C33H36N4O6

(2E,2'E)-N,N'-(Methylenedi-4,1-cyclohexanediyl)bis[2-cyano-3-(3,4-dihydroxyphenyl)acrylamide]

  • Molecular FormulaC33H36N4O6
  • Average mass584.662 Da
  • Monoisotopic mass584.263489 Da
  • ChemSpider ID4578420

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,2'E)-N,N'-(methanediyldicyclohexane-4,1-diyl)bis[2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide]
(2E,2'E)-N,N'-(Methylendi-4,1-cyclohexandiyl)bis[2-cyan-3-(3,4-dihydroxyphenyl)acrylamid] [German] [ACD/IUPAC Name]
(2E,2'E)-N,N'-(Methylenedi-4,1-cyclohexanediyl)bis[2-cyano-3-(3,4-dihydroxyphenyl)acrylamide] [ACD/IUPAC Name]
(2E,2'E)-N,N'-(Méthylènedi-4,1-cyclohexanediyl)bis[2-cyano-3-(3,4-dihydroxyphényl)acrylamide] [French] [ACD/IUPAC Name]
2-Propenamide, N,N'-(methylenedi-4,1-cyclohexanediyl)bis[2-cyano-3-(3,4-dihydroxyphenyl)-, (2E,2'E)- [ACD/Index Name]
(E)-2-Cyano-N-(4-{4-[(E)-2-cyano-3-(3,4-dihydroxy-phenyl)-acryloylamino]-cyclohexylmethyl}-cyclohexyl)-3-(3,4-dihydroxy-phenyl)-acrylamide
2-Cyano-N-(4-{4-[(Z)-2-cyano-3-(3,4-dihydroxyphenyl)allanoylamino]cyclohexylmethyl}-cyclohexyl)-3-(3,4-dihydroxyphenyl)acrylamide

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

AIDS080801 [DBID]
AIDS-080801 [DBID]
NSC653260 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 928.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.7±3.0 kJ/mol
Flash Point: 515.4±34.3 °C
Index of Refraction: 1.663
Molar Refractivity: 157.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 312.54
ACD/KOC (pH 5.5): 2124.52
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 276.20
ACD/KOC (pH 7.4): 1877.51
Polar Surface Area: 187 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 78.7±5.0 dyne/cm
Molar Volume: 425.0±5.0 cm3

Click to predict properties on the Chemicalize site


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