ChemSpider 2D Image | 3-(4-Bromo-3-thienyl)-N-(6-chloro-3,3-dimethyl-3,4-dihydro-1-isoquinolinyl)alanine | C18H18BrClN2O2S

3-(4-Bromo-3-thienyl)-N-(6-chloro-3,3-dimethyl-3,4-dihydro-1-isoquinolinyl)alanine

  • Molecular FormulaC18H18BrClN2O2S
  • Average mass441.770 Da
  • Monoisotopic mass439.996094 Da
  • ChemSpider ID30815236

More details:

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

3-(4-Brom-3-thienyl)-N-(6-chlor-3,3-dimethyl-3,4-dihydro-1-isochinolinyl)alanin [German] [ACD/IUPAC Name]
3-(4-Bromo-3-thiényl)-N-(6-chloro-3,3-diméthyl-3,4-dihydro-1-isoquinoléinyl)alanine [French] [ACD/IUPAC Name]
3-(4-Bromo-3-thienyl)-N-(6-chloro-3,3-dimethyl-3,4-dihydro-1-isoquinolinyl)alanine [ACD/IUPAC Name]
3-Thiophenepropanoic acid, 4-bromo-α-[(6-chloro-3,4-dihydro-3,3-dimethyl-1-isoquinolinyl)amino]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 602.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 318.0±31.5 °C
Index of Refraction: 1.677
Molar Refractivity: 105.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 8.11
ACD/KOC (pH 5.5): 31.07
ACD/LogD (pH 7.4): 2.10
ACD/BCF (pH 7.4): 5.35
ACD/KOC (pH 7.4): 20.50
Polar Surface Area: 90 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 53.0±7.0 dyne/cm
Molar Volume: 280.8±7.0 cm3

Click to predict properties on the Chemicalize site


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