ChemSpider 2D Image | 3-[({3-[2-(7-Chloro-2-quinolinyl)vinyl]phenyl}{[3-(dimethylamino)-3-oxopropyl]sulfanyl}methyl)sulfanyl]propanoic acid | C26H27ClN2O3S2

3-[({3-[2-(7-Chloro-2-quinolinyl)vinyl]phenyl}{[3-(dimethylamino)-3-oxopropyl]sulfanyl}methyl)sulfanyl]propanoic acid

  • Molecular FormulaC26H27ClN2O3S2
  • Average mass515.087 Da
  • Monoisotopic mass514.115173 Da
  • ChemSpider ID54723

More details:

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

3-[({3-[2-(7-Chlor-2-chinolinyl)vinyl]phenyl}{[3-(dimethylamino)-3-oxopropyl]sulfanyl}methyl)sulfanyl]propansäure [German] [ACD/IUPAC Name]
3-[({3-[2-(7-Chloro-2-quinolinyl)vinyl]phenyl}{[3-(dimethylamino)-3-oxopropyl]sulfanyl}methyl)sulfanyl]propanoic acid [ACD/IUPAC Name]
Acide 3-[({3-[2-(7-chloro-2-quinoléinyl)vinyl]phényl}{[3-(diméthylamino)-3-oxopropyl]sulfanyl}méthyl)sulfanyl]propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[[[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl][[3-(dimethylamino)-3-oxopropyl]thio]methyl]thio]- [ACD/Index Name]
115104-28-4 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 712.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 384.6±32.9 °C
Index of Refraction: 1.687
Molar Refractivity: 147.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 409.20
ACD/KOC (pH 5.5): 1136.19
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 6.75
ACD/KOC (pH 7.4): 18.74
Polar Surface Area: 121 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 60.8±3.0 dyne/cm
Molar Volume: 388.0±3.0 cm3

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