ChemSpider 2D Image | BILB-1941 | C34H34N4O4

BILB-1941

  • Molecular FormulaC34H34N4O4
  • Average mass562.658 Da
  • Monoisotopic mass562.257996 Da
  • ChemSpider ID28667147

  • 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)phenyl]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)phenyl]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]phenyl]-, (2E)- [ACD/Index Name]
3WV68DY85W
494856-61-0 [RN]
Acide (2E)-3-[4-({[1-({[3-cyclopentyl-1-méthyl-2-(2-pyridinyl)-1H-indol-6-yl]carbonyl}amino)cyclobutyl]carbonyl}amino)phényl]acrylique [French] [ACD/IUPAC Name]
BILB-1941
(E)-3-[4-[[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutanecarbonyl]amino]phenyl]prop-2-enoic acid
1001913-10-5 [RN]
UNII:3WV68DY85W
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 892.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.9±3.0 kJ/mol
Flash Point: 493.6±34.3 °C
Index of Refraction: 1.678
Molar Refractivity: 160.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.31
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 176.07
ACD/KOC (pH 5.5): 752.70
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 5.91
ACD/KOC (pH 7.4): 25.25
Polar Surface Area: 113 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 55.1±7.0 dyne/cm
Molar Volume: 426.4±7.0 cm3

Click to predict properties on the Chemicalize site


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