ChemSpider 2D Image | N-[(7S)-1,2,3-Trimethoxy-9-oxo-10-{[4-oxo-4-(4-phenyl-1-piperazinyl)butyl]amino}-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide | C35H42N4O6

N-[(7S)-1,2,3-Trimethoxy-9-oxo-10-{[4-oxo-4-(4-phenyl-1-piperazinyl)butyl]amino}-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

  • Molecular FormulaC35H42N4O6
  • Average mass614.731 Da
  • Monoisotopic mass614.310425 Da
  • ChemSpider ID30716907

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Acetamide, N-[(7S)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxo-10-[[4-oxo-4-(4-phenyl-1-piperazinyl)butyl]amino]benzo[a]heptalen-7-yl]- [ACD/Index Name]
N-[(7S)-1,2,3-Trimethoxy-9-oxo-10-{[4-oxo-4-(4-phenyl-1-piperazinyl)butyl]amino}-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamid [German] [ACD/IUPAC Name]
N-[(7S)-1,2,3-Trimethoxy-9-oxo-10-{[4-oxo-4-(4-phenyl-1-piperazinyl)butyl]amino}-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide [ACD/IUPAC Name]
N-[(7S)-1,2,3-Triméthoxy-9-oxo-10-{[4-oxo-4-(4-phényl-1-pipérazinyl)butyl]amino}-5,6,7,9-tétrahydrobenzo[a]heptalén-7-yl]acétamide [French] [ACD/IUPAC Name]
(S)-N-(1,2,3-trimethoxy-9-oxo-10-((4-oxo-4-(4-phenylpiperazin-1-yl)butyl)amino)-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide
1574380-10-1 [RN]
N-[(7S)-1,2,3-trimethoxy-9-oxo-10-[[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]amino]-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 928.6±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 135.2±3.0 kJ/mol
    Flash Point: 515.4±34.3 °C
    Index of Refraction: 1.632
    Molar Refractivity: 171.5±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 1.90
    ACD/LogD (pH 5.5): 2.72
    ACD/BCF (pH 5.5): 69.00
    ACD/KOC (pH 5.5): 719.22
    ACD/LogD (pH 7.4): 2.73
    ACD/BCF (pH 7.4): 69.55
    ACD/KOC (pH 7.4): 724.94
    Polar Surface Area: 109 Å2
    Polarizability: 68.0±0.5 10-24cm3
    Surface Tension: 60.1±5.0 dyne/cm
    Molar Volume: 480.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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