ChemSpider 2D Image | compound 1 [PMID: 20005102] | C28H25N5O2

compound 1 [PMID: 20005102]

  • Molecular FormulaC28H25N5O2
  • Average mass463.530 Da
  • Monoisotopic mass463.200836 Da
  • ChemSpider ID24646286

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-{[6-(3-Furyl)-5-(3-methyl-1H-indazol-5-yl)-3-pyridinyl]oxy}-3-(1H-indol-3-yl)-2-propanamin [German] [ACD/IUPAC Name]
(2S)-1-{[6-(3-Furyl)-5-(3-methyl-1H-indazol-5-yl)-3-pyridinyl]oxy}-3-(1H-indol-3-yl)-2-propanamine [ACD/IUPAC Name]
(2S)-1-{[6-(3-Furyl)-5-(3-méthyl-1H-indazol-5-yl)-3-pyridinyl]oxy}-3-(1H-indol-3-yl)-2-propanamine [French] [ACD/IUPAC Name]
1H-Indole-3-ethanamine, α-[[[6-(3-furanyl)-5-(3-methyl-1H-indazol-5-yl)-3-pyridinyl]oxy]methyl]-, (αS)- [ACD/Index Name]
compound 1 [PMID: 20005102]
(2s)-1-{[6-Furan-3-Yl-5-(3-Methyl-2h-Indazol-5-Yl)pyridin-3-Yl]oxy}-3-(1h-Indol-3-Yl)propan-2-Amine
(S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)pyridin-3-yl}-3-methyl-2H-indazole
B99
compound 1 [PMID 20005102]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 730.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 395.8±32.9 °C
Index of Refraction: 1.707
Molar Refractivity: 137.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 1.80
ACD/KOC (pH 5.5): 7.74
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 44.64
ACD/KOC (pH 7.4): 192.40
Polar Surface Area: 106 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 63.9±3.0 dyne/cm
Molar Volume: 352.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement