ChemSpider 2D Image | Ethyl {2-[(4-cyclohexylphenyl)sulfonyl]-1,2,3,4-tetrahydro-1-isoquinolinyl}acetate | C25H31NO4S

Ethyl {2-[(4-cyclohexylphenyl)sulfonyl]-1,2,3,4-tetrahydro-1-isoquinolinyl}acetate

  • Molecular FormulaC25H31NO4S
  • Average mass441.583 Da
  • Monoisotopic mass441.197388 Da
  • ChemSpider ID21921196

More details:

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

{2-[(4-Cyclohexylphényl)sulfonyl]-1,2,3,4-tétrahydro-1-isoquinoléinyl}acétate d'éthyle [French] [ACD/IUPAC Name]
1-Isoquinolineacetic acid, 2-[(4-cyclohexylphenyl)sulfonyl]-1,2,3,4-tetrahydro-, ethyl ester [ACD/Index Name]
Ethyl {2-[(4-cyclohexylphenyl)sulfonyl]-1,2,3,4-tetrahydro-1-isoquinolinyl}acetate [ACD/IUPAC Name]
Ethyl-{2-[(4-cyclohexylphenyl)sulfonyl]-1,2,3,4-tetrahydro-1-isochinolinyl}acetat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 580.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 304.9±32.9 °C
Index of Refraction: 1.574
Molar Refractivity: 122.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.53
ACD/LogD (pH 5.5): 5.69
ACD/BCF (pH 5.5): 12344.92
ACD/KOC (pH 5.5): 29530.85
ACD/LogD (pH 7.4): 5.69
ACD/BCF (pH 7.4): 12344.92
ACD/KOC (pH 7.4): 29530.85
Polar Surface Area: 72 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 369.9±3.0 cm3

Click to predict properties on the Chemicalize site


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