ChemSpider 2D Image | 1-Allyl-6-(1-azepanylsulfonyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxo-1,4-dihydro-3-quinolinecarboxamide | C31H39N3O6S

1-Allyl-6-(1-azepanylsulfonyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxo-1,4-dihydro-3-quinolinecarboxamide

  • Molecular FormulaC31H39N3O6S
  • Average mass581.723 Da
  • Monoisotopic mass581.255981 Da
  • ChemSpider ID22465162

More details:

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

1-Allyl-6-(1-azepanylsulfonyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxo-1,4-dihydro-3-chinolincarboxamid [German] [ACD/IUPAC Name]
1-Allyl-6-(1-azépanylsulfonyl)-N-[2-(3,4-diéthoxyphényl)éthyl]-4-oxo-1,4-dihydro-3-quinoléinecarboxamide [French] [ACD/IUPAC Name]
1-Allyl-6-(1-azepanylsulfonyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxo-1,4-dihydro-3-quinolinecarboxamide [ACD/IUPAC Name]
3-Quinolinecarboxamide, N-[2-(3,4-diethoxyphenyl)ethyl]-6-[(hexahydro-1H-azepin-1-yl)sulfonyl]-1,4-dihydro-4-oxo-1-(2-propen-1-yl)- [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.582
Molar Refractivity: 158.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 400.50
ACD/KOC (pH 5.5): 2538.30
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 400.46
ACD/KOC (pH 7.4): 2538.09
Polar Surface Area: 114 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 475.7±3.0 cm3

Click to predict properties on the Chemicalize site


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