ChemSpider 2D Image | Methyl 4-(3-{(E)-[1-(2-ethylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoate | C28H27N3O4S

Methyl 4-(3-{(E)-[1-(2-ethylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoate

  • Molecular FormulaC28H27N3O4S
  • Average mass501.597 Da
  • Monoisotopic mass501.172241 Da
  • ChemSpider ID1381973

  • Double-bond stereo - Double-bond stereo

More details:

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

4-(3-{(E)-[1-(2-Éthylphényl)-4,6-dioxo-2-thioxotétrahydro-5(2H)-pyrimidinylidène]méthyl}-2,5-diméthyl-1H-pyrrol-1-yl)-3-méthylbenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[3-[(E)-[1-(2-ethylphenyl)tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene]methyl]-2,5-dimethyl-1H-pyrrol-1-yl]-3-methyl-, methyl ester [ACD/Index Name]
Methyl 4-(3-{(E)-[1-(2-ethylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoate [ACD/IUPAC Name]
Methyl-4-(3-{(E)-[1-(2-ethylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinyliden]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoat [German] [ACD/IUPAC Name]
(E)-methyl 4-(3-((1-(2-ethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoate
4-{3-[1-(2-Ethyl-phenyl)-4,6-dioxo-2-thioxo-tetrahydro-pyrimidin-5-ylidenemethyl]-2,5-dimethyl-pyrrol-1-yl}-3-methyl-benzoic acid methyl ester
508185-08-8 [RN]
methyl 4-(3-{(E)-[1-(2-ethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoate
methyl 4-[3-[(E)-[1-(2-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]-3-methylbenzoate
methyl 4-{3-[(1-(2-ethylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-3-methylbenzoate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AH-487/40956288 [DBID]
ZINC00659975 [DBID]

    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: 1.637
    Molar Refractivity: 142.7±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 6.47
    ACD/LogD (pH 5.5): 4.64
    ACD/BCF (pH 5.5): 1725.33
    ACD/KOC (pH 5.5): 6122.90
    ACD/LogD (pH 7.4): 3.30
    ACD/BCF (pH 7.4): 78.06
    ACD/KOC (pH 7.4): 277.02
    Polar Surface Area: 113 Å2
    Polarizability: 56.6±0.5 10-24cm3
    Surface Tension: 45.3±7.0 dyne/cm
    Molar Volume: 397.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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