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

(1S,2R,3R,4R)-3-{[2-(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 ID26646710

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,2R,3R,4R)-3-{[2-(5-Methyl-2-furyl)phenyl]carbamoyl}bicyclo[2.2.1]hept-5-en-2-carbonsäure [German] [ACD/IUPAC Name]
(1S,2R,3R,4R)-3-{[2-(5-Methyl-2-furyl)phenyl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid [ACD/IUPAC Name]
Acide (1S,2R,3R,4R)-3-{[2-(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-[[[2-(5-methyl-2-furanyl)phenyl]amino]carbonyl]-, (1S,2R,3R,4R)- [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: 548.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 285.7±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: 2.31
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 4.52
ACD/KOC (pH 5.5): 44.81
ACD/LogD (pH 7.4): -0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
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

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