Found 1 result

Search term: WXYDNPZTDZDEQZ-DFIIUBNTSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3Z,6S,11aS)-3-(2,5-Dimethoxybenzylidene)-7,10-dimethoxy-6-methyl-11,11a-dihydro-2H-pyrazino[1,2-b]isoquinoline-1,4(3H,6H)-dione | C24H26N2O6

(3Z,6S,11aS)-3-(2,5-Dimethoxybenzylidene)-7,10-dimethoxy-6-methyl-11,11a-dihydro-2H-pyrazino[1,2-b]isoquinoline-1,4(3H,6H)-dione

  • Molecular FormulaC24H26N2O6
  • Average mass438.473 Da
  • Monoisotopic mass438.179077 Da
  • ChemSpider ID23281936

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3Z,6S,11aS)-3-(2,5-Dimethoxybenzyliden)-7,10-dimethoxy-6-methyl-11,11a-dihydro-2H-pyrazino[1,2-b]isochinolin-1,4(3H,6H)-dion [German] [ACD/IUPAC Name]
(3Z,6S,11aS)-3-(2,5-Diméthoxybenzylidène)-7,10-diméthoxy-6-méthyl-11,11a-dihydro-2H-pyrazino[1,2-b]isoquinoléine-1,4(3H,6H)-dione [French] [ACD/IUPAC Name]
(3Z,6S,11aS)-3-(2,5-Dimethoxybenzylidene)-7,10-dimethoxy-6-methyl-11,11a-dihydro-2H-pyrazino[1,2-b]isoquinoline-1,4(3H,6H)-dione [ACD/IUPAC Name]
2H-Pyrazino[1,2-b]isoquinoline-1,4(3H,6H)-dione, 3-[(2,5-dimethoxyphenyl)methylene]-11,11a-dihydro-7,10-dimethoxy-6-methyl-, (3Z,6S,11aS)- [ACD/Index Name]
(6S,11aS,Z)-3-(2,5-dimethoxybenzylidene)-7,10-dimethoxy-6-methyl-2,3,11,11a-tetrahydro-6H-pyrazino[1,2-b]isoquinoline-1,4-dione
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL389449/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 739.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 401.0±32.9 °C
Index of Refraction: 1.624
Molar Refractivity: 117.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 101.81
ACD/KOC (pH 5.5): 952.35
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 101.80
ACD/KOC (pH 7.4): 952.21
Polar Surface Area: 86 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 332.3±5.0 cm3

Click to predict properties on the Chemicalize site


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