ChemSpider 2D Image | (1-{[(1-{2-[(E)-2-(7-Chloro-2-quinolinyl)vinyl]phenyl}-3-[3-(2-hydroxy-2-propanyl)phenyl]propyl)sulfanyl]methyl}cyclopropyl)acetic acid | C35H36ClNO3S

(1-{[(1-{2-[(E)-2-(7-Chloro-2-quinolinyl)vinyl]phenyl}-3-[3-(2-hydroxy-2-propanyl)phenyl]propyl)sulfanyl]methyl}cyclopropyl)acetic acid

  • Molecular FormulaC35H36ClNO3S
  • Average mass586.183 Da
  • Monoisotopic mass585.210449 Da
  • ChemSpider ID111334311

  • Double-bond stereo - Double-bond stereo

More details:

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

(1-{[(1-{2-[(E)-2-(7-Chlor-2-chinolinyl)vinyl]phenyl}-3-[3-(2-hydroxy-2-propanyl)phenyl]propyl)sulfanyl]methyl}cyclopropyl)essigsäure [German] [ACD/IUPAC Name]
(1-{[(1-{2-[(E)-2-(7-Chloro-2-quinolinyl)vinyl]phenyl}-3-[3-(2-hydroxy-2-propanyl)phenyl]propyl)sulfanyl]methyl}cyclopropyl)acetic acid [ACD/IUPAC Name]
Acide (1-{[(1-{2-[(E)-2-(7-chloro-2-quinoléinyl)vinyl]phényl}-3-[3-(2-hydroxy-2-propanyl)phényl]propyl)sulfanyl]méthyl}cyclopropyl)acétique [French] [ACD/IUPAC Name]
Cyclopropaneacetic acid, 1-[[[1-[2-[(E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[3-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]- [ACD/Index 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: 753.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.3±3.0 kJ/mol
Flash Point: 409.7±32.9 °C
Index of Refraction: 1.678
Molar Refractivity: 173.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.80
ACD/LogD (pH 5.5): 6.73
ACD/BCF (pH 5.5): 48928.23
ACD/KOC (pH 5.5): 46476.15
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 782.24
ACD/KOC (pH 7.4): 743.04
Polar Surface Area: 96 Å2
Polarizability: 68.9±0.5 10-24cm3
Surface Tension: 59.8±3.0 dyne/cm
Molar Volume: 460.8±3.0 cm3

Click to predict properties on the Chemicalize site


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