ChemSpider 2D Image | (2E)-3-[4-({[1-({[3-Cyclopentyl-1-methyl-2-(2-pyridinyl)-1H-indol-6-yl]carbonyl}amino)cyclobutyl]carbonyl}amino)-2-propoxyphenyl]acrylic acid | C37H40N4O5

(2E)-3-[4-({[1-({[3-Cyclopentyl-1-methyl-2-(2-pyridinyl)-1H-indol-6-yl]carbonyl}amino)cyclobutyl]carbonyl}amino)-2-propoxyphenyl]acrylic acid

  • Molecular FormulaC37H40N4O5
  • Average mass620.737 Da
  • Monoisotopic mass620.299866 Da
  • ChemSpider ID9824999

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[4-({[1-({[3-Cyclopentyl-1-methyl-2-(2-pyridinyl)-1H-indol-6-yl]carbonyl}amino)cyclobutyl]carbonyl}amino)-2-propoxyphenyl]acrylic acid [ACD/IUPAC Name]
(2E)-3-[4-({[1-({[3-Cyclopentyl-1-methyl-2-(2-pyridinyl)-1H-indol-6-yl]carbonyl}amino)cyclobutyl]carbonyl}amino)-2-propoxyphenyl]acrylsäure [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-[4-[[[1-[[[3-cyclopentyl-1-methyl-2-(2-pyridinyl)-1H-indol-6-yl]carbonyl]amino]cyclobutyl]carbonyl]amino]-2-propoxyphenyl]-, (2E)- [ACD/Index Name]
Acide (2E)-3-[4-({[1-({[3-cyclopentyl-1-méthyl-2-(2-pyridinyl)-1H-indol-6-yl]carbonyl}amino)cyclobutyl]carbonyl}amino)-2-propoxyphényl]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: 912.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.0±3.0 kJ/mol
Flash Point: 505.8±34.3 °C
Index of Refraction: 1.654
Molar Refractivity: 175.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.63
ACD/LogD (pH 5.5): 4.50
ACD/BCF (pH 5.5): 907.31
ACD/KOC (pH 5.5): 2412.62
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 30.85
ACD/KOC (pH 7.4): 82.04
Polar Surface Area: 123 Å2
Polarizability: 69.7±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 480.0±7.0 cm3

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