ChemSpider 2D Image | 1-Allyl-6-(1-azepanylsulfonyl)-N-{3-[benzyl(butyl)amino]propyl}-4-oxo-1,4-dihydro-3-quinolinecarboxamide | C33H44N4O4S

1-Allyl-6-(1-azepanylsulfonyl)-N-{3-[benzyl(butyl)amino]propyl}-4-oxo-1,4-dihydro-3-quinolinecarboxamide

  • Molecular FormulaC33H44N4O4S
  • Average mass592.792 Da
  • Monoisotopic mass592.308350 Da
  • ChemSpider ID22465163

More details:

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

1-Allyl-6-(1-azepanylsulfonyl)-N-{3-[benzyl(butyl)amino]propyl}-4-oxo-1,4-dihydro-3-chinolincarboxamid [German] [ACD/IUPAC Name]
1-Allyl-6-(1-azépanylsulfonyl)-N-{3-[benzyl(butyl)amino]propyl}-4-oxo-1,4-dihydro-3-quinoléinecarboxamide [French] [ACD/IUPAC Name]
1-Allyl-6-(1-azepanylsulfonyl)-N-{3-[benzyl(butyl)amino]propyl}-4-oxo-1,4-dihydro-3-quinolinecarboxamide [ACD/IUPAC Name]
3-Quinolinecarboxamide, N-[3-[butyl(phenylmethyl)amino]propyl]-6-[(hexahydro-1H-azepin-1-yl)sulfonyl]-1,4-dihydro-4-oxo-1-(2-propen-1-yl)- [ACD/Index Name]
6-(AZEPANE-1-SULFONYL)-N-{3-[BENZYL(BUTYL)AMINO]PROPYL}-4-OXO-1-(PROP-2-EN-1-YL)QUINOLINE-3-CARBOXAMIDE

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: 1.587
Molar Refractivity: 168.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 5.53
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 3.36
ACD/KOC (pH 5.5): 13.77
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 140.32
ACD/KOC (pH 7.4): 575.90
Polar Surface Area: 98 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 500.9±3.0 cm3

Click to predict properties on the Chemicalize site


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