ChemSpider 2D Image | 4-[(4-Benzyl-1-piperidinyl)carbonyl]-2-propyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1(2H)-isoquinolinone | C34H40N2O5

4-[(4-Benzyl-1-piperidinyl)carbonyl]-2-propyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1(2H)-isoquinolinone

  • Molecular FormulaC34H40N2O5
  • Average mass556.692 Da
  • Monoisotopic mass556.293701 Da
  • ChemSpider ID22797205

More details:

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

1(2H)-Isoquinolinone, 3,4-dihydro-4-[[4-(phenylmethyl)-1-piperidinyl]carbonyl]-2-propyl-3-(3,4,5-trimethoxyphenyl)- [ACD/Index Name]
4-[(4-Benzyl-1-piperidinyl)carbonyl]-2-propyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1(2H)-isochinolinon [German] [ACD/IUPAC Name]
4-[(4-Benzyl-1-pipéridinyl)carbonyl]-2-propyl-3-(3,4,5-triméthoxyphényl)-3,4-dihydro-1(2H)-isoquinoléinone [French] [ACD/IUPAC Name]
4-[(4-Benzyl-1-piperidinyl)carbonyl]-2-propyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1(2H)-isoquinolinone [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: 698.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 376.5±31.5 °C
Index of Refraction: 1.580
Molar Refractivity: 158.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 4.87
ACD/BCF (pH 5.5): 2979.95
ACD/KOC (pH 5.5): 10676.62
ACD/LogD (pH 7.4): 4.87
ACD/BCF (pH 7.4): 2979.95
ACD/KOC (pH 7.4): 10676.62
Polar Surface Area: 68 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 477.2±3.0 cm3

Click to predict properties on the Chemicalize site


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