ChemSpider 2D Image | dersalazine | C35H32N6O4

dersalazine

  • Molecular FormulaC35H32N6O4
  • Average mass600.666 Da
  • Monoisotopic mass600.248474 Da
  • ChemSpider ID20158304

  • Double-bond stereo - Double-bond stereo

More details:

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

188913-58-8 [RN]
2-Hydroxy-5-((4-((1Z)-3-(4-((2-methyl-1H-imidazo(4,5-c)pyridin-1-yl)methyl)piperidin-1-yl)-3-oxo-1-phenylprop-1-enyl)phenyl)diazenyl)benzoic acid
2-Hydroxy-5-[(E)-{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}diazenyl]benzoesäure [German] [ACD/IUPAC Name]
2-Hydroxy-5-[(E)-{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}diazenyl]benzoic acid [ACD/IUPAC Name]
Acide 2-hydroxy-5-[(E)-{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}diazényl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-hydroxy-5-[(E)-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]diazenyl]- [ACD/Index Name]
dersalazine [INN]
WS1IH75AJT
2-hydroxy-5-[(E)-2-{4-[(1Z)-3-[4-({2-methyl-1H-imidazo[4,5-c]pyridin-1-yl}methyl)piperidin-1-yl]-3-oxo-1-phenylprop-1-en-1-yl]phenyl}diazen-1-yl]benzoic acid
UNII:WS1IH75AJT
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

8194 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 903.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.6±3.0 kJ/mol
Flash Point: 500.3±34.3 °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: 3
ACD/LogP: 6.60
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 93.12
ACD/KOC (pH 5.5): 166.94
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 27.93
ACD/KOC (pH 7.4): 50.06
Polar Surface Area: 133 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 56.3±7.0 dyne/cm
Molar Volume: 452.4±7.0 cm3

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