ChemSpider 2D Image | N-{[2-(1-Azepanyl)-7-methoxy-3-quinolinyl]methyl}-N-(2-furylmethyl)-3-(3-methyl-1H-pyrazol-1-yl)propanamide | C29H35N5O3

N-{[2-(1-Azepanyl)-7-methoxy-3-quinolinyl]methyl}-N-(2-furylmethyl)-3-(3-methyl-1H-pyrazol-1-yl)propanamide

  • Molecular FormulaC29H35N5O3
  • Average mass501.620 Da
  • Monoisotopic mass501.273987 Da
  • ChemSpider ID22241052

More details:

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

1H-Pyrazole-1-propanamide, N-(2-furanylmethyl)-N-[[2-(hexahydro-1H-azepin-1-yl)-7-methoxy-3-quinolinyl]methyl]-3-methyl- [ACD/Index Name]
N-{[2-(1-Azepanyl)-7-methoxy-3-chinolinyl]methyl}-N-(2-furylmethyl)-3-(3-methyl-1H-pyrazol-1-yl)propanamid [German] [ACD/IUPAC Name]
N-{[2-(1-Azépanyl)-7-méthoxy-3-quinoléinyl]méthyl}-N-(2-furylméthyl)-3-(3-méthyl-1H-pyrazol-1-yl)propanamide [French] [ACD/IUPAC Name]
N-{[2-(1-Azepanyl)-7-methoxy-3-quinolinyl]methyl}-N-(2-furylmethyl)-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: 1.2±0.1 g/cm3
Boiling Point: 712.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 384.7±32.9 °C
Index of Refraction: 1.630
Molar Refractivity: 144.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 886.24
ACD/KOC (pH 5.5): 3690.95
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1733.37
ACD/KOC (pH 7.4): 7219.04
Polar Surface Area: 77 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 406.6±7.0 cm3

Click to predict properties on the Chemicalize site


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