ChemSpider 2D Image | (2E)-3-[6-({[1-({[3-Cyclopentyl-1-methyl-2-(2-pyrazinyl)-1H-indol-6-yl]carbonyl}amino)cyclobutyl]carbonyl}amino)-2-ethoxy-3-pyridinyl]acrylic acid | C34H36N6O5

(2E)-3-[6-({[1-({[3-Cyclopentyl-1-methyl-2-(2-pyrazinyl)-1H-indol-6-yl]carbonyl}amino)cyclobutyl]carbonyl}amino)-2-ethoxy-3-pyridinyl]acrylic acid

  • Molecular FormulaC34H36N6O5
  • Average mass608.687 Da
  • Monoisotopic mass608.274719 Da
  • ChemSpider ID58968006

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[6-({[1-({[3-Cyclopentyl-1-methyl-2-(2-pyrazinyl)-1H-indol-6-yl]carbonyl}amino)cyclobutyl]carbonyl}amino)-2-ethoxy-3-pyridinyl]acrylic acid [ACD/IUPAC Name]
(2E)-3-[6-({[1-({[3-Cyclopentyl-1-methyl-2-(2-pyrazinyl)-1H-indol-6-yl]carbonyl}amino)cyclobutyl]carbonyl}amino)-2-ethoxy-3-pyridinyl]acrylsäure [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-[6-[[[1-[[[3-cyclopentyl-1-methyl-2-(2-pyrazinyl)-1H-indol-6-yl]carbonyl]amino]cyclobutyl]carbonyl]amino]-2-ethoxy-3-pyridinyl]-, (2E)- [ACD/Index Name]
Acide (2E)-3-[6-({[1-({[3-cyclopentyl-1-méthyl-2-(2-pyrazinyl)-1H-indol-6-yl]carbonyl}amino)cyclobutyl]carbonyl}amino)-2-éthoxy-3-pyridinyl]acrylique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 913.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.2±3.0 kJ/mol
Flash Point: 506.3±34.3 °C
Index of Refraction: 1.687
Molar Refractivity: 168.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.58
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 10.08
ACD/KOC (pH 5.5): 45.85
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.61
Polar Surface Area: 148 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 57.1±7.0 dyne/cm
Molar Volume: 441.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement