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Search term: YLPWZUJYWADIBY (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Methyl 2-{[(2Z)-3-(1,3-benzodioxol-5-yl)-2-propenoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate | C19H17NO5S

Methyl 2-{[(2Z)-3-(1,3-benzodioxol-5-yl)-2-propenoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

  • Molecular FormulaC19H17NO5S
  • Average mass371.407 Da
  • Monoisotopic mass371.082733 Da
  • ChemSpider ID127456280

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{[(2Z)-3-(1,3-Benzodioxol-5-yl)-2-propenoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophène-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
4H-Cyclopenta[b]thiophene-3-carboxylic acid, 2-[[(2Z)-3-(1,3-benzodioxol-5-yl)-1-oxo-2-propen-1-yl]amino]-5,6-dihydro-, methyl ester [ACD/Index Name]
Methyl 2-{[(2Z)-3-(1,3-benzodioxol-5-yl)-2-propenoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate [ACD/IUPAC Name]
Methyl-2-{[(2Z)-3-(1,3-benzodioxol-5-yl)-2-propenoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophen-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 629.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 334.7±31.5 °C
Index of Refraction: 1.698
Molar Refractivity: 99.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.39
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 1233.30
ACD/KOC (pH 5.5): 5677.87
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 1233.28
ACD/KOC (pH 7.4): 5677.79
Polar Surface Area: 102 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 66.3±3.0 dyne/cm
Molar Volume: 259.0±3.0 cm3

Click to predict properties on the Chemicalize site


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