Found 2535 results

Search term: MF = 'C_{31}H_{35}N_{3}O_{4}'
ChemSpider 2D Image | (12aS)-2-[2-(1-Cyclohexen-1-yl)ethyl]-6-(4-ethoxy-3-methoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione | C31H35N3O4

(12aS)-2-[2-(1-Cyclohexen-1-yl)ethyl]-6-(4-ethoxy-3-methoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

  • Molecular FormulaC31H35N3O4
  • Average mass513.627 Da
  • Monoisotopic mass513.262756 Da
  • ChemSpider ID17466992

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(12aS)-2-[2-(1-Cyclohexen-1-yl)ethyl]-6-(4-ethoxy-3-methoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-1,4-dion [German] [ACD/IUPAC Name]
(12aS)-2-[2-(1-Cyclohexen-1-yl)ethyl]-6-(4-ethoxy-3-methoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione [ACD/IUPAC Name]
(12aS)-2-[2-(1-Cyclohexén-1-yl)éthyl]-6-(4-éthoxy-3-méthoxyphényl)-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-[2-(1-cyclohexen-1-yl)ethyl]-6-(4-ethoxy-3-methoxyphenyl)-2,3,6,7,12,12a-hexahydro-, (12aS)- [ACD/Index Name]
(12aS)-2-(2-(cyclohex-1-en-1-yl)ethyl)-6-(4-ethoxy-3-methoxyphenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione
956914-15-1 [RN]
MCULE-1284619251
MolPort-001-738-088
STOCK1N-53045

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 742.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 108.3±3.0 kJ/mol
    Flash Point: 403.1±32.9 °C
    Index of Refraction: 1.666
    Molar Refractivity: 146.6±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 4.80
    ACD/LogD (pH 5.5): 4.97
    ACD/BCF (pH 5.5): 3528.63
    ACD/KOC (pH 5.5): 12049.55
    ACD/LogD (pH 7.4): 4.97
    ACD/BCF (pH 7.4): 3528.63
    ACD/KOC (pH 7.4): 12049.55
    Polar Surface Area: 75 Å2
    Polarizability: 58.1±0.5 10-24cm3
    Surface Tension: 63.8±5.0 dyne/cm
    Molar Volume: 394.3±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement