ChemSpider 2D Image | Methyl 3,5-dimethoxy-2-({5-methoxy-4-oxo-6-[(1E)-1-propen-1-yl]-1,4-dihydro-3-pyridinyl}carbonyl)benzoate | C20H21NO7

Methyl 3,5-dimethoxy-2-({5-methoxy-4-oxo-6-[(1E)-1-propen-1-yl]-1,4-dihydro-3-pyridinyl}carbonyl)benzoate

  • Molecular FormulaC20H21NO7
  • Average mass387.383 Da
  • Monoisotopic mass387.131805 Da
  • ChemSpider ID40256535

  • Double-bond stereo - Double-bond stereo

More details:

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

3,5-Diméthoxy-2-({5-méthoxy-4-oxo-6-[(1E)-1-propén-1-yl]-1,4-dihydro-3-pyridinyl}carbonyl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[1,4-dihydro-5-methoxy-4-oxo-6-[(1E)-1-propen-1-yl]-3-pyridinyl]carbonyl]-3,5-dimethoxy-, methyl ester [ACD/Index Name]
Methyl 3,5-dimethoxy-2-({5-methoxy-4-oxo-6-[(1E)-1-propen-1-yl]-1,4-dihydro-3-pyridinyl}carbonyl)benzoate [ACD/IUPAC Name]
Methyl-3,5-dimethoxy-2-({5-methoxy-4-oxo-6-[(1E)-1-propen-1-yl]-1,4-dihydro-3-pyridinyl}carbonyl)benzoat [German] [ACD/IUPAC Name]
Penicidone D

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

Density: 1.3±0.1 g/cm3
Boiling Point: 612.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 324.0±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 99.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.68
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 9.04
ACD/KOC (pH 5.5): 168.18
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 8.30
ACD/KOC (pH 7.4): 154.39
Polar Surface Area: 100 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 301.3±5.0 cm3

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