ChemSpider 2D Image | (1S,4R)-3-{[4-(5-Methyl-2-furyl)phenyl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid | C20H19NO4

(1S,4R)-3-{[4-(5-Methyl-2-furyl)phenyl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

  • Molecular FormulaC20H19NO4
  • Average mass337.369 Da
  • Monoisotopic mass337.131409 Da
  • ChemSpider ID22845796

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(1S,4R)-3-{[4-(5-Methyl-2-furyl)phenyl]carbamoyl}bicyclo[2.2.1]hept-5-en-2-carbonsäure [German] [ACD/IUPAC Name]
(1S,4R)-3-{[4-(5-Methyl-2-furyl)phenyl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid [ACD/IUPAC Name]
Acide (1S,4R)-3-{[4-(5-méthyl-2-furyl)phényl]carbamoyl}bicyclo[2.2.1]hept-5-ène-2-carboxylique [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[[[4-(5-methyl-2-furanyl)phenyl]amino]carbonyl]-, (1S,4R)- [ACD/Index Name]
(1R,4S)-2-[[4-(5-methylfuran-2-yl)phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid
(1S,4R)-3-((4-(5-methylfuran-2-yl)phenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
(1S,4R)-3-{[4-(5-methylfuran-2-yl)phenyl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
1214625-59-8 [RN]
3-[4-(5-Methyl-furan-2-yl)-phenylcarbamoyl]-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Benzoic acid, 4-(aminomethyl)- (9CI) [ACD/Index Name]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 586.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 92.2±3.0 kJ/mol
    Flash Point: 308.7±30.1 °C
    Index of Refraction: 1.641
    Molar Refractivity: 91.5±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.43
    ACD/LogD (pH 5.5): 1.88
    ACD/BCF (pH 5.5): 7.86
    ACD/KOC (pH 5.5): 66.79
    ACD/LogD (pH 7.4): 0.10
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.10
    Polar Surface Area: 80 Å2
    Polarizability: 36.3±0.5 10-24cm3
    Surface Tension: 59.9±3.0 dyne/cm
    Molar Volume: 253.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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