ChemSpider 2D Image | (1-{[(1-{3-[(E)-2-(7-Chloro-2-quinolinyl)vinyl]phenyl}-3-hydroxy-3-[2-(2-hydroxy-2-propanyl)phenyl]propyl)sulfanyl]methyl}cyclopropyl)acetate | C35H35ClNO4S

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

  • Molecular FormulaC35H35ClNO4S
  • Average mass601.175 Da
  • Monoisotopic mass600.198059 Da
  • ChemSpider ID21228350

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(1-{[(1-{3-[(E)-2-(7-Chlor-2-chinolinyl)vinyl]phenyl}-3-hydroxy-3-[2-(2-hydroxy-2-propanyl)phenyl]propyl)sulfanyl]methyl}cyclopropyl)acetat [German] [ACD/IUPAC Name]
(1-{[(1-{3-[(E)-2-(7-Chloro-2-quinoléinyl)vinyl]phényl}-3-hydroxy-3-[2-(2-hydroxy-2-propanyl)phényl]propyl)sulfanyl]méthyl}cyclopropyl)acétate [French] [ACD/IUPAC Name]
(1-{[(1-{3-[(E)-2-(7-Chloro-2-quinolinyl)vinyl]phenyl}-3-hydroxy-3-[2-(2-hydroxy-2-propanyl)phenyl]propyl)sulfanyl]methyl}cyclopropyl)acetate [ACD/IUPAC Name]
Cyclopropaneacetic acid, 1-[[[1-[3-[(E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxy-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point: 787.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.2±3.0 kJ/mol
Flash Point: 430.3±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.74
ACD/LogD (pH 5.5): 5.69
ACD/BCF (pH 5.5): 7879.57
ACD/KOC (pH 5.5): 12572.03
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 125.96
ACD/KOC (pH 7.4): 200.98
Polar Surface Area: 119 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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