ChemSpider 2D Image | N-(1,3-Benzodioxol-5-ylmethyl)-N-{[5,8-dimethoxy-2-(1-pyrrolidinyl)-3-quinolinyl]methyl}-3-(3-methyl-1H-pyrazol-1-yl)propanamide | C31H35N5O5

N-(1,3-Benzodioxol-5-ylmethyl)-N-{[5,8-dimethoxy-2-(1-pyrrolidinyl)-3-quinolinyl]methyl}-3-(3-methyl-1H-pyrazol-1-yl)propanamide

  • Molecular FormulaC31H35N5O5
  • Average mass557.640 Da
  • Monoisotopic mass557.263794 Da
  • ChemSpider ID23058214

More details:

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

1H-Pyrazole-1-propanamide, N-(1,3-benzodioxol-5-ylmethyl)-N-[[5,8-dimethoxy-2-(1-pyrrolidinyl)-3-quinolinyl]methyl]-3-methyl- [ACD/Index Name]
N-(1,3-Benzodioxol-5-ylmethyl)-N-{[5,8-dimethoxy-2-(1-pyrrolidinyl)-3-chinolinyl]methyl}-3-(3-methyl-1H-pyrazol-1-yl)propanamid [German] [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylméthyl)-N-{[5,8-diméthoxy-2-(1-pyrrolidinyl)-3-quinoléinyl]méthyl}-3-(3-méthyl-1H-pyrazol-1-yl)propanamide [French] [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylmethyl)-N-{[5,8-dimethoxy-2-(1-pyrrolidinyl)-3-quinolinyl]methyl}-3-(3-methyl-1H-pyrazol-1-yl)propanamide [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 772.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.5±3.0 kJ/mol
Flash Point: 421.0±32.9 °C
Index of Refraction: 1.650
Molar Refractivity: 154.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 3.95
ACD/BCF (pH 5.5): 591.63
ACD/KOC (pH 5.5): 3348.92
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 596.05
ACD/KOC (pH 7.4): 3373.94
Polar Surface Area: 91 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 50.3±7.0 dyne/cm
Molar Volume: 422.1±7.0 cm3

Click to predict properties on the Chemicalize site


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