ChemSpider 2D Image | 2-{5-[4-(4-tert-Butylbenzoyl)piperazin-1-yl]-2-nitrophenyl}-4-methylphthalazin-1(2H)-one | C30H31N5O4

2-{5-[4-(4-tert-Butylbenzoyl)piperazin-1-yl]-2-nitrophenyl}-4-methylphthalazin-1(2H)-one

  • Molecular FormulaC30H31N5O4
  • Average mass525.598 Da
  • Monoisotopic mass525.237610 Da
  • ChemSpider ID2225090

More details:

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

1(2H)-Phthalazinone, 2-[5-[4-[4-(1,1-dimethylethyl)benzoyl]-1-piperazinyl]-2-nitrophenyl]-4-methyl- [ACD/Index Name]
2-{5-[4-(4-tert-Butylbenzoyl)piperazin-1-yl]-2-nitrophenyl}-4-methylphthalazin-1(2H)-one
4-Méthyl-2-(5-{4-[4-(2-méthyl-2-propanyl)benzoyl]-1-pipérazinyl}-2-nitrophényl)-1(2H)-phtalazinone [French] [ACD/IUPAC Name]
4-Methyl-2-(5-{4-[4-(2-methyl-2-propanyl)benzoyl]-1-piperazinyl}-2-nitrophenyl)-1(2H)-phthalazinon [German] [ACD/IUPAC Name]
4-Methyl-2-(5-{4-[4-(2-methyl-2-propanyl)benzoyl]-1-piperazinyl}-2-nitrophenyl)-1(2H)-phthalazinone [ACD/IUPAC Name]
2-(5-{4-[(4-tert-butylphenyl)carbonyl]piperazin-1-yl}-2-nitrophenyl)-4-methylphthalazin-1(2H)-one
2-[5-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one
2-{5-[4-(4-tert-butylbenzoyl)-1-piperazinyl]-2-nitrophenyl}-4-methyl-1(2H)-phthalazinone
2-{5-[4-(4-tert-Butyl-benzoyl)-piperazin-1-yl]-2-nitro-phenyl}-4-methyl-2H-phthalazin-1-one
2-{5-[4-(4-TERT-BUTYLBENZOYL)PIPERAZIN-1-YL]-2-NITROPHENYL}-4-METHYLPHTHALAZIN-1-ONE
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 737.5±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 107.6±3.0 kJ/mol
    Flash Point: 399.8±35.7 °C
    Index of Refraction: 1.651
    Molar Refractivity: 150.1±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 3.78
    ACD/LogD (pH 5.5): 4.71
    ACD/BCF (pH 5.5): 2222.53
    ACD/KOC (pH 5.5): 8655.00
    ACD/LogD (pH 7.4): 4.71
    ACD/BCF (pH 7.4): 2222.59
    ACD/KOC (pH 7.4): 8655.23
    Polar Surface Area: 102 Å2
    Polarizability: 59.5±0.5 10-24cm3
    Surface Tension: 51.7±7.0 dyne/cm
    Molar Volume: 411.1±7.0 cm3

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