ChemSpider 2D Image | Ethyl 4-({[5-cyano-4-(2-furyl)-2-methyl-6-({2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydro-3-pyridinyl]carbonyl}amino)benzoate | C27H30N4O5S

Ethyl 4-({[5-cyano-4-(2-furyl)-2-methyl-6-({2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydro-3-pyridinyl]carbonyl}amino)benzoate

  • Molecular FormulaC27H30N4O5S
  • Average mass522.616 Da
  • Monoisotopic mass522.193665 Da
  • ChemSpider ID2993026

More details:

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

4-({[5-Cyano-4-(2-furyl)-2-méthyl-6-({2-[(2-méthyl-2-propanyl)amino]-2-oxoéthyl}sulfanyl)-1,4-dihydro-3-pyridinyl]carbonyl}amino)benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[5-cyano-6-[[2-[(1,1-dimethylethyl)amino]-2-oxoethyl]thio]-4-(2-furanyl)-1,4-dihydro-2-methyl-3-pyridinyl]carbonyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-({[5-cyano-4-(2-furyl)-2-methyl-6-({2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydro-3-pyridinyl]carbonyl}amino)benzoate [ACD/IUPAC Name]
Ethyl-4-({[5-cyan-4-(2-furyl)-2-methyl-6-({2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydro-3-pyridinyl]carbonyl}amino)benzoat [German] [ACD/IUPAC Name]
4-{[6-(tert-Butylcarbamoyl-methylsulfanyl)-5-cyano-4-furan-2-yl-2-methyl-1,4-dihydro-pyridine-3-carbonyl]-amino}-benzoic acid ethyl ester
799785-99-2 [RN]
AC1MXDZQ
AGN-PC-094WZW
AKOS005633782
Ethyl 4-({[6-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-furyl)-2-methyl-1,4-dihydropyridin-3-yl]carbonyl}amino)benzoate
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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: 745.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 108.7±3.0 kJ/mol
    Flash Point: 404.5±32.9 °C
    Index of Refraction: 1.614
    Molar Refractivity: 140.5±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 1
    ACD/LogP: 4.34
    ACD/LogD (pH 5.5): 4.35
    ACD/BCF (pH 5.5): 1193.79
    ACD/KOC (pH 5.5): 5547.07
    ACD/LogD (pH 7.4): 4.35
    ACD/BCF (pH 7.4): 1193.79
    ACD/KOC (pH 7.4): 5547.09
    Polar Surface Area: 159 Å2
    Polarizability: 55.7±0.5 10-24cm3
    Surface Tension: 59.4±5.0 dyne/cm
    Molar Volume: 403.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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