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

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

  • Molecular FormulaC35H36ClNO3S
  • Average mass586.183 Da
  • Monoisotopic mass585.210449 Da
  • ChemSpider ID95574165

  • Double-bond stereo - Double-bond stereo

More details:

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

1,1-Ethenediol, 2-[1-[[[1-[3-[(E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]cyclopropyl]- [ACD/Index Name]
2-(1-{[(1-{3-[(E)-2-(7-Chlor-2-chinolinyl)vinyl]phenyl}-3-[2-(2-hydroxy-2-propanyl)phenyl]propyl)sulfanyl]methyl}cyclopropyl)-1,1-ethendiol [German] [ACD/IUPAC Name]
2-(1-{[(1-{3-[(E)-2-(7-Chloro-2-quinoléinyl)vinyl]phényl}-3-[2-(2-hydroxy-2-propanyl)phényl]propyl)sulfanyl]méthyl}cyclopropyl)-1,1-éthènediol [French] [ACD/IUPAC Name]
2-(1-{[(1-{3-[(E)-2-(7-Chloro-2-quinolinyl)vinyl]phenyl}-3-[2-(2-hydroxy-2-propanyl)phenyl]propyl)sulfanyl]methyl}cyclopropyl)-1,1-ethenediol [ACD/IUPAC 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: 760.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.1±3.0 kJ/mol
Flash Point: 413.4±32.9 °C
Index of Refraction: 1.731
Molar Refractivity: 176.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 8.21
ACD/LogD (pH 5.5): 6.93
ACD/BCF (pH 5.5): 109640.83
ACD/KOC (pH 5.5): 140968.55
ACD/LogD (pH 7.4): 6.93
ACD/BCF (pH 7.4): 109471.70
ACD/KOC (pH 7.4): 140751.11
Polar Surface Area: 99 Å2
Polarizability: 70.1±0.5 10-24cm3
Surface Tension: 65.2±3.0 dyne/cm
Molar Volume: 442.8±3.0 cm3

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