ChemSpider 2D Image | N-{[6,7-Dimethoxy-1-(4-methoxyphenyl)-3,4-dihydro-2(1H)-isoquinolinyl]carbonyl}-L-alloisoleucine | C25H32N2O6

N-{[6,7-Dimethoxy-1-(4-methoxyphenyl)-3,4-dihydro-2(1H)-isoquinolinyl]carbonyl}-L-alloisoleucine

  • Molecular FormulaC25H32N2O6
  • Average mass456.531 Da
  • Monoisotopic mass456.226044 Da
  • ChemSpider ID65157926

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

L-Alloisoleucine, N-[[3,4-dihydro-6,7-dimethoxy-1-(4-methoxyphenyl)-2(1H)-isoquinolinyl]carbonyl]- [ACD/Index Name]
N-{[6,7-Dimethoxy-1-(4-methoxyphenyl)-3,4-dihydro-2(1H)-isochinolinyl]carbonyl}-L-alloisoleucin [German] [ACD/IUPAC Name]
N-{[6,7-Diméthoxy-1-(4-méthoxyphényl)-3,4-dihydro-2(1H)-isoquinoléinyl]carbonyl}-L-alloisoleucine [French] [ACD/IUPAC Name]
N-{[6,7-Dimethoxy-1-(4-methoxyphenyl)-3,4-dihydro-2(1H)-isoquinolinyl]carbonyl}-L-alloisoleucine [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: 619.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 328.6±31.5 °C
Index of Refraction: 1.563
Molar Refractivity: 123.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 5.38
ACD/KOC (pH 5.5): 35.65
ACD/LogD (pH 7.4): 0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 97 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 381.5±3.0 cm3

Click to predict properties on the Chemicalize site


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