ChemSpider 2D Image | 4-[(3S)-1-Acryloyl-3-piperidinyl]-1H-indole-7-carboxamide | C17H19N3O2

4-[(3S)-1-Acryloyl-3-piperidinyl]-1H-indole-7-carboxamide

  • Molecular FormulaC17H19N3O2
  • Average mass297.352 Da
  • Monoisotopic mass297.147736 Da
  • ChemSpider ID81367561

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Indole-7-carboxamide, 4-[(3S)-1-(1-oxo-2-propen-1-yl)-3-piperidinyl]- [ACD/Index Name]
4-[(3S)-1-Acryloyl-3-piperidinyl]-1H-indol-7-carboxamid [German] [ACD/IUPAC Name]
4-[(3S)-1-Acryloyl-3-piperidinyl]-1H-indole-7-carboxamide [ACD/IUPAC Name]
4-[(3S)-1-Acryloyl-3-pipéridinyl]-1H-indole-7-carboxamide [French] [ACD/IUPAC Name]
1643570-24-4 [RN]
Elsubrutinib

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

Density: 1.3±0.1 g/cm3
Boiling Point: 611.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 323.4±31.5 °C
Index of Refraction: 1.649
Molar Refractivity: 85.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.61
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 5.97
ACD/KOC (pH 5.5): 125.11
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 5.97
ACD/KOC (pH 7.4): 125.11
Polar Surface Area: 79 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 58.8±3.0 dyne/cm
Molar Volume: 235.7±3.0 cm3

Click to predict properties on the Chemicalize site


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