Found 1 result

Search term: FSESYEMXAXXWSH (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-(6,7-Dimethoxy-1-phenyl-3,4-dihydro-2(1H)-isoquinolinyl)-3-[(4-fluorophenyl)sulfanyl]-2-propanol | C26H28FNO3S

1-(6,7-Dimethoxy-1-phenyl-3,4-dihydro-2(1H)-isoquinolinyl)-3-[(4-fluorophenyl)sulfanyl]-2-propanol

  • Molecular FormulaC26H28FNO3S
  • Average mass453.569 Da
  • Monoisotopic mass453.177399 Da
  • ChemSpider ID28514421

More details:

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

1-(6,7-Dimethoxy-1-phenyl-3,4-dihydro-2(1H)-isochinolinyl)-3-[(4-fluorphenyl)sulfanyl]-2-propanol [German] [ACD/IUPAC Name]
1-(6,7-Diméthoxy-1-phényl-3,4-dihydro-2(1H)-isoquinoléinyl)-3-[(4-fluorophényl)sulfanyl]-2-propanol [French] [ACD/IUPAC Name]
1-(6,7-Dimethoxy-1-phenyl-3,4-dihydro-2(1H)-isoquinolinyl)-3-[(4-fluorophenyl)sulfanyl]-2-propanol [ACD/IUPAC Name]
2(1H)-Isoquinolineethanol, α-[[(4-fluorophenyl)thio]methyl]-3,4-dihydro-6,7-dimethoxy-1-phenyl- [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: 593.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 312.5±30.1 °C
Index of Refraction: 1.641
Molar Refractivity: 128.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.61
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 934.60
ACD/KOC (pH 5.5): 2619.97
ACD/LogD (pH 7.4): 5.33
ACD/BCF (pH 7.4): 6523.72
ACD/KOC (pH 7.4): 18287.91
Polar Surface Area: 67 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 57.1±5.0 dyne/cm
Molar Volume: 355.3±5.0 cm3

Click to predict properties on the Chemicalize site


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