ChemSpider 2D Image | (3E)-3-({4-[(1Z)-3-{4-[(2-Methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]-1-piperidinyl}-3-oxo-1-phenyl-1-propen-1-yl]phenyl}hydrazono)-6-oxo-1,4-cyclohexadiene-1-carboxylic acid | C35H32N6O4

(3E)-3-({4-[(1Z)-3-{4-[(2-Methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]-1-piperidinyl}-3-oxo-1-phenyl-1-propen-1-yl]phenyl}hydrazono)-6-oxo-1,4-cyclohexadiene-1-carboxylic acid

  • Molecular FormulaC35H32N6O4
  • Average mass600.666 Da
  • Monoisotopic mass600.248474 Da
  • ChemSpider ID7984572

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-3-({4-[(1Z)-3-{4-[(2-Methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]-1-piperidinyl}-3-oxo-1-phenyl-1-propen-1-yl]phenyl}hydrazono)-6-oxo-1,4-cyclohexadien-1-carbonsäure [German] [ACD/IUPAC Name]
(3E)-3-({4-[(1Z)-3-{4-[(2-Methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]-1-piperidinyl}-3-oxo-1-phenyl-1-propen-1-yl]phenyl}hydrazono)-6-oxo-1,4-cyclohexadiene-1-carboxylic acid [ACD/IUPAC Name]
1,4-Cyclohexadiene-1-carboxylic acid, 3-[2-[4-[(1Z)-3-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]-1-piperidinyl]-3-oxo-1-phenyl-1-propen-1-yl]phenyl]hydrazinylidene]-6-oxo-, (3E)- [ACD/Index Name]
Acide (3E)-3-({4-[(1Z)-3-{4-[(2-méthyl-1H-imidazo[4,5-c]pyridin-1-yl)méthyl]-1-pipéridinyl}-3-oxo-1-phényl-1-propén-1-yl]phényl}hydrazono)-6-oxo-1,4-cyclohexadiène-1-carboxylique [French] [ACD/IUPAC Name]
188913-58-8 [RN]
dersalazine [INN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 860.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.0±3.0 kJ/mol
Flash Point: 474.1±37.1 °C
Index of Refraction: 1.685
Molar Refractivity: 171.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 3.61
ACD/KOC (pH 5.5): 16.72
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.93
Polar Surface Area: 130 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 56.3±7.0 dyne/cm
Molar Volume: 452.4±7.0 cm3

Click to predict properties on the Chemicalize site


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