Found 3 results

Search term: CHEXAKKFOKKEEE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Ethyl (6S)-2-{[(2E)-3-(3-methoxy-4-propoxyphenyl)-2-propenoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | C25H31NO5S

Ethyl (6S)-2-{[(2E)-3-(3-methoxy-4-propoxyphenyl)-2-propenoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Molecular FormulaC25H31NO5S
  • Average mass457.582 Da
  • Monoisotopic mass457.192291 Da
  • ChemSpider ID62653256

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6S)-2-{[(2E)-3-(3-Méthoxy-4-propoxyphényl)-2-propenoyl]amino}-6-méthyl-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[(2E)-3-(3-methoxy-4-propoxyphenyl)-1-oxo-2-propen-1-yl]amino]-6-methyl-, ethyl ester, (6S)- [ACD/Index Name]
Ethyl (6S)-2-{[(2E)-3-(3-methoxy-4-propoxyphenyl)-2-propenoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Ethyl-(6S)-2-{[(2E)-3-(3-methoxy-4-propoxyphenyl)-2-propenoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 663.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 355.1±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 130.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 8.74
ACD/LogD (pH 5.5): 6.53
ACD/BCF (pH 5.5): 54565.84
ACD/KOC (pH 5.5): 85559.77
ACD/LogD (pH 7.4): 6.53
ACD/BCF (pH 7.4): 54565.12
ACD/KOC (pH 7.4): 85558.63
Polar Surface Area: 102 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 383.1±3.0 cm3

Click to predict properties on the Chemicalize site


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