ChemSpider 2D Image | 2-[(5E)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]-4-methoxy-pyrrol-2-yl]-1H-indole | C20H19N3O

2-[(5E)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]-4-methoxy-pyrrol-2-yl]-1H-indole

  • Molecular FormulaC20H19N3O
  • Average mass317.384 Da
  • Monoisotopic mass317.152802 Da
  • ChemSpider ID24539359
  • Double-bond stereo - Double-bond stereo


More details:






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

1H-Indole, 2-[2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]-3-methoxy-2H-pyrrol-5-yl]- [ACD/Index Name]
2-[(2E)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-2H-pyrrol-5-yl]-1H-indole
803712-67-6 [RN]
803712-79-0 [RN]
Obatoclax [Wiki]
Obatoclax Mesylate [USAN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 570.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 298.8±30.1 °C
Index of Refraction: 1.652
Molar Refractivity: 94.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 7.65
ACD/KOC (pH 5.5): 45.11
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 147.99
ACD/KOC (pH 7.4): 872.18
Polar Surface Area: 53 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 43.4±7.0 dyne/cm
Molar Volume: 258.5±7.0 cm3

Click to predict properties on the Chemicalize site





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