ChemSpider 2D Image | 1-[4-(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)-1-piperidinyl]-3-(4-methoxyphenyl)-2-(2-thienyl)-2-propen-1-one | C28H27NO5S

1-[4-(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)-1-piperidinyl]-3-(4-methoxyphenyl)-2-(2-thienyl)-2-propen-1-one

  • Molecular FormulaC28H27NO5S
  • Average mass489.583 Da
  • Monoisotopic mass489.160980 Da
  • ChemSpider ID35439862

More details:

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

1-[4-(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)-1-piperidinyl]-3-(4-methoxyphenyl)-2-(2-thienyl)-2-propen-1-on [German] [ACD/IUPAC Name]
1-[4-(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)-1-piperidinyl]-3-(4-methoxyphenyl)-2-(2-thienyl)-2-propen-1-one [ACD/IUPAC Name]
1-[4-(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)-1-pipéridinyl]-3-(4-méthoxyphényl)-2-(2-thiényl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-[4-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbonyl]-1-piperidinyl]-3-(4-methoxyphenyl)-2-(2-thienyl)- [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: 719.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 388.8±32.9 °C
Index of Refraction: 1.642
Molar Refractivity: 136.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 4.88
ACD/BCF (pH 5.5): 3000.34
ACD/KOC (pH 5.5): 10728.85
ACD/LogD (pH 7.4): 4.88
ACD/BCF (pH 7.4): 3000.34
ACD/KOC (pH 7.4): 10728.85
Polar Surface Area: 93 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 379.1±3.0 cm3

Click to predict properties on the Chemicalize site


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