ChemSpider 2D Image | (2E)-3-{4-[(N-{[2-(6-Amino-5-methyl-3-pyridinyl)-3-cyclohexyl-1-methyl-1H-indol-6-yl]carbonyl}-2-methylalanyl)amino]phenyl}acrylic acid | C35H39N5O4

(2E)-3-{4-[(N-{[2-(6-Amino-5-methyl-3-pyridinyl)-3-cyclohexyl-1-methyl-1H-indol-6-yl]carbonyl}-2-methylalanyl)amino]phenyl}acrylic acid

  • Molecular FormulaC35H39N5O4
  • Average mass593.715 Da
  • Monoisotopic mass593.300232 Da
  • ChemSpider ID26337790

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-{4-[(N-{[2-(6-Amino-5-methyl-3-pyridinyl)-3-cyclohexyl-1-methyl-1H-indol-6-yl]carbonyl}-2-methylalanyl)amino]phenyl}acrylic acid [ACD/IUPAC Name]
(2E)-3-{4-[(N-{[2-(6-Amino-5-methyl-3-pyridinyl)-3-cyclohexyl-1-methyl-1H-indol-6-yl]carbonyl}-2-methylalanyl)amino]phenyl}acrylsäure [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-[4-[[2-[[[2-(6-amino-5-methyl-3-pyridinyl)-3-cyclohexyl-1-methyl-1H-indol-6-yl]carbonyl]amino]-2-methyl-1-oxopropyl]amino]phenyl]-, (2E)- [ACD/Index Name]
Acide (2E)-3-{4-[(N-{[2-(6-amino-5-méthyl-3-pyridinyl)-3-cyclohexyl-1-méthyl-1H-indol-6-yl]carbonyl}-2-méthylalanyl)amino]phényl}acrylique [French] [ACD/IUPAC 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: 898.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.8±3.0 kJ/mol
Flash Point: 497.1±34.3 °C
Index of Refraction: 1.649
Molar Refractivity: 169.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 6.62
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 53.64
ACD/KOC (pH 5.5): 160.15
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 19.89
ACD/KOC (pH 7.4): 59.38
Polar Surface Area: 139 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 465.0±7.0 cm3

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