ChemSpider 2D Image | (12aR)-2-Cyclohexyl-6-(3,4,5-trimethoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione | C29H33N3O5

(12aR)-2-Cyclohexyl-6-(3,4,5-trimethoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

  • Molecular FormulaC29H33N3O5
  • Average mass503.589 Da
  • Monoisotopic mass503.242035 Da
  • ChemSpider ID17464305

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(12aR)-2-Cyclohexyl-6-(3,4,5-trimethoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-1,4-dion [German] [ACD/IUPAC Name]
(12aR)-2-Cyclohexyl-6-(3,4,5-trimethoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione [ACD/IUPAC Name]
(12aR)-2-Cyclohexyl-6-(3,4,5-triméthoxyphényl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione [French] [ACD/IUPAC Name]
Pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione, 2-cyclohexyl-2,3,6,7,12,12a-hexahydro-6-(3,4,5-trimethoxyphenyl)-, (12aR)- [ACD/Index Name]
(12aR)-2-cyclohexyl-6-(3,4,5-trimethoxyphenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione
956927-94-9 [RN]
MCULE-8839916225
MolPort-001-737-771
STOCK1N-39762

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 731.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 106.8±3.0 kJ/mol
    Flash Point: 396.4±32.9 °C
    Index of Refraction: 1.666
    Molar Refractivity: 139.4±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 3.07
    ACD/LogD (pH 5.5): 3.48
    ACD/BCF (pH 5.5): 259.63
    ACD/KOC (pH 5.5): 1861.22
    ACD/LogD (pH 7.4): 3.48
    ACD/BCF (pH 7.4): 259.63
    ACD/KOC (pH 7.4): 1861.22
    Polar Surface Area: 84 Å2
    Polarizability: 55.3±0.5 10-24cm3
    Surface Tension: 65.5±5.0 dyne/cm
    Molar Volume: 375.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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