ChemSpider 2D Image | (3Z)-5-{5-[2-Amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl}-3-(1H-pyrrol-2-ylmethylene)-1,3-dihydro-2H-indol-2-one | C29H25N5O2

(3Z)-5-{5-[2-Amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl}-3-(1H-pyrrol-2-ylmethylene)-1,3-dihydro-2H-indol-2-one

  • Molecular FormulaC29H25N5O2
  • Average mass475.541 Da
  • Monoisotopic mass475.200836 Da
  • ChemSpider ID24624353

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3Z)-5-{5-[2-Amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl}-3-(1H-pyrrol-2-ylmethylen)-1,3-dihydro-2H-indol-2-on [German] [ACD/IUPAC Name]
(3Z)-5-{5-[2-Amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl}-3-(1H-pyrrol-2-ylmethylene)-1,3-dihydro-2H-indol-2-one [ACD/IUPAC Name]
(3Z)-5-{5-[2-Amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl}-3-(1H-pyrrol-2-ylméthylène)-1,3-dihydro-2H-indol-2-one [French] [ACD/IUPAC Name]
2H-Indol-2-one, 5-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-1,3-dihydro-3-(1H-pyrrol-2-ylmethylene)-, (3Z)- [ACD/Index Name]
(R,Z)-3-((1H-pyrrol-2-yl)methylene)-5-(5-(2-amino-3-(1H-indol-3-yl)propoxy)pyridin-3-yl)indolin-2-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 841.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.3±3.0 kJ/mol
Flash Point: 462.9±34.3 °C
Index of Refraction: 1.741
Molar Refractivity: 141.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.50
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 4.27
ACD/KOC (pH 7.4): 34.64
Polar Surface Area: 109 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 72.0±3.0 dyne/cm
Molar Volume: 349.9±3.0 cm3

Click to predict properties on the Chemicalize site


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