ChemSpider 2D Image | Methyl 2-[({[4-allyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-5-(dimethylcarbamoyl)-4-methyl-3-thiophenecarboxylate | C24H27N5O4S2

Methyl 2-[({[4-allyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-5-(dimethylcarbamoyl)-4-methyl-3-thiophenecarboxylate

  • Molecular FormulaC24H27N5O4S2
  • Average mass513.632 Da
  • Monoisotopic mass513.150452 Da
  • ChemSpider ID12812822

More details:

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

2-[(2-{[4-Allyl-5-(2-méthylphényl)-4H-1,2,4-triazol-3-yl]sulfanyl}acétyl)amino]-5-(diméthylcarbamoyl)-4-méthyl-3-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 5-[(dimethylamino)carbonyl]-4-methyl-2-[[2-[[5-(2-methylphenyl)-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, methyl ester [ACD/Index Name]
Methyl 2-[({[4-allyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-5-(dimethylcarbamoyl)-4-methyl-3-thiophenecarboxylate [ACD/IUPAC Name]
Methyl 2-[({[4-allyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
Methyl-2-[({[4-allyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-5-(dimethylcarbamoyl)-4-methyl-3-thiophencarboxylat [German] [ACD/IUPAC Name]
2-[2-(4-Allyl-5-o-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetylamino]-5-dimethylcarbamoyl-4-methyl-thiophene-3-carboxylic acid methyl ester
897175-73-4 [RN]
methyl 2-(2-((4-allyl-5-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
methyl 2-[({[4-allyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]thio}acetyl)amino]-5-[(dimethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate
methyl 5-(dimethylcarbamoyl)-4-methyl-2-[({[5-(2-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]thiophene-3-carboxylate
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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:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.641
    Molar Refractivity: 141.0±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 5.65
    ACD/LogD (pH 5.5): 4.58
    ACD/BCF (pH 5.5): 1792.78
    ACD/KOC (pH 5.5): 7421.08
    ACD/LogD (pH 7.4): 4.58
    ACD/BCF (pH 7.4): 1792.75
    ACD/KOC (pH 7.4): 7420.97
    Polar Surface Area: 160 Å2
    Polarizability: 55.9±0.5 10-24cm3
    Surface Tension: 49.1±7.0 dyne/cm
    Molar Volume: 390.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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