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

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

  • Molecular FormulaC37H40N4O5
  • Average mass620.737 Da
  • Monoisotopic mass620.299866 Da
  • ChemSpider ID9702180

  • 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-isopropoxyphenyl]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-isopropoxyphenyl]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-(1-methylethoxy)phenyl]-, (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-isopropoxyphényl]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: 907.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.3±3.0 kJ/mol
Flash Point: 502.9±34.3 °C
Index of Refraction: 1.654
Molar Refractivity: 175.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.44
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 926.75
ACD/KOC (pH 5.5): 2564.07
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 32.02
ACD/KOC (pH 7.4): 88.60
Polar Surface Area: 123 Å2
Polarizability: 69.6±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 479.1±7.0 cm3

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