ChemSpider 2D Image | (7S)-10-{[3-(3,4-Dihydro-1(2H)-quinolinyl)propyl]amino}-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one | C32H39N3O4

(7S)-10-{[3-(3,4-Dihydro-1(2H)-quinolinyl)propyl]amino}-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one

  • Molecular FormulaC32H39N3O4
  • Average mass529.670 Da
  • Monoisotopic mass529.294067 Da
  • ChemSpider ID22870801

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(7S)-10-{[3-(3,4-Dihydro-1(2H)-chinolinyl)propyl]amino}-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-on [German] [ACD/IUPAC Name]
(7S)-10-{[3-(3,4-Dihydro-1(2H)-quinoléinyl)propyl]amino}-1,2,3-triméthoxy-7-(méthylamino)-6,7-dihydrobenzo[a]heptalén-9(5H)-one [French] [ACD/IUPAC Name]
(7S)-10-{[3-(3,4-Dihydro-1(2H)-quinolinyl)propyl]amino}-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one [ACD/IUPAC Name]
Benzo[a]heptalen-9(5H)-one, 10-[[3-(3,4-dihydro-1(2H)-quinolinyl)propyl]amino]-6,7-dihydro-1,2,3-trimethoxy-7-(methylamino)-, (7S)- [ACD/Index Name]
(7S)-10-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
1212436-48-0 [RN]
AC1O47IT
MCULE-2327624340
MolPort-002-512-261
STOCK1N-17226

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 782.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 113.9±3.0 kJ/mol
    Flash Point: 427.2±32.9 °C
    Index of Refraction: 1.628
    Molar Refractivity: 153.5±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 4.08
    ACD/LogD (pH 5.5): 0.96
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.49
    ACD/LogD (pH 7.4): 3.03
    ACD/BCF (pH 7.4): 59.16
    ACD/KOC (pH 7.4): 286.95
    Polar Surface Area: 72 Å2
    Polarizability: 60.8±0.5 10-24cm3
    Surface Tension: 55.4±5.0 dyne/cm
    Molar Volume: 432.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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