ChemSpider 2D Image | Methyl 3-[({4-[(4-chlorophenyl)(phenyl)methyl]-1-piperazinyl}acetyl)amino]-4-methoxy-1H-indole-2-carboxylate | C30H31ClN4O4

Methyl 3-[({4-[(4-chlorophenyl)(phenyl)methyl]-1-piperazinyl}acetyl)amino]-4-methoxy-1H-indole-2-carboxylate

  • Molecular FormulaC30H31ClN4O4
  • Average mass547.044 Da
  • Monoisotopic mass546.203369 Da
  • ChemSpider ID3197550

More details:

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

1H-Indole-2-carboxylic acid, 3-[[2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]acetyl]amino]-4-methoxy-, methyl ester [ACD/Index Name]
3-[(2-{4-[(4-Chlorophényl)(phényl)méthyl]-1-pipérazinyl}acétyl)amino]-4-méthoxy-1H-indole-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-[({4-[(4-chlorophenyl)(phenyl)methyl]-1-piperazinyl}acetyl)amino]-4-methoxy-1H-indole-2-carboxylate [ACD/IUPAC Name]
Methyl-3-[({4-[(4-chlorphenyl)(phenyl)methyl]-1-piperazinyl}acetyl)amino]-4-methoxy-1H-indol-2-carboxylat [German] [ACD/IUPAC Name]
847048-04-8 [RN]
methyl 3-[({4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}acetyl)amino]-4-methoxy-1H-indole-2-carboxylate
methyl 3-[[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]acetyl]amino]-4-methoxy-1H-indole-2-carboxylate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 744.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 108.5±3.0 kJ/mol
    Flash Point: 404.0±32.9 °C
    Index of Refraction: 1.659
    Molar Refractivity: 153.3±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 5.43
    ACD/LogD (pH 5.5): 5.17
    ACD/BCF (pH 5.5): 4250.23
    ACD/KOC (pH 5.5): 11433.59
    ACD/LogD (pH 7.4): 5.45
    ACD/BCF (pH 7.4): 8074.04
    ACD/KOC (pH 7.4): 21720.07
    Polar Surface Area: 87 Å2
    Polarizability: 60.8±0.5 10-24cm3
    Surface Tension: 59.1±3.0 dyne/cm
    Molar Volume: 415.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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