ChemSpider 2D Image | 4-(3-{(Z)-[1-(4-Butylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid | C28H27N3O4S

4-(3-{(Z)-[1-(4-Butylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid

  • Molecular FormulaC28H27N3O4S
  • Average mass501.597 Da
  • Monoisotopic mass501.172241 Da
  • ChemSpider ID1370810

  • Double-bond stereo - Double-bond stereo

More details:

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

4-(3-{(Z)-[1-(4-Butylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinyliden]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoesäure [German] [ACD/IUPAC Name]
4-(3-{(Z)-[1-(4-Butylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid [ACD/IUPAC Name]
4-(3-{(Z)-[1-(4-butylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Acide 4-(3-{(Z)-[1-(4-butylphényl)-4,6-dioxo-2-thioxotétrahydro-5(2H)-pyrimidinylidène]méthyl}-2,5-diméthyl-1H-pyrrol-1-yl)benzoïque [French] [ACD/IUPAC Name]
benzoic acid, 4-[3-[(Z)-[1-(4-butylphenyl)-1,6-dihydro-2-mercapto-4,6-dioxo-5(4H)-pyrimidinylidene]methyl]-2,5-dimethyl-1H-pyrrol-1-yl]-
Benzoic acid, 4-[3-[(Z)-[1-(4-butylphenyl)tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene]methyl]-2,5-dimethyl-1H-pyrrol-1-yl]- [ACD/Index Name]
332355-69-8 [RN]
4-(3-{(Z)-[1-(4-butylphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
4-[3-[(Z)-[1-(4-butylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoic acid
4-{3-[(1-(4-butylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.651
    Molar Refractivity: 142.5±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 6.77
    ACD/LogD (pH 5.5): 2.73
    ACD/BCF (pH 5.5): 23.31
    ACD/KOC (pH 5.5): 90.96
    ACD/LogD (pH 7.4): 0.64
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 124 Å2
    Polarizability: 56.5±0.5 10-24cm3
    Surface Tension: 49.1±7.0 dyne/cm
    Molar Volume: 390.2±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement