ChemSpider 2D Image | [6-(3-Fluorobenzyl)-6H-thieno[2,3-b]pyrrol-5-yl](3-methyl-4-{[(E)-2-phenylvinyl]sulfonyl}-1-piperazinyl)methanone | C27H26FN3O3S2

[6-(3-Fluorobenzyl)-6H-thieno[2,3-b]pyrrol-5-yl](3-methyl-4-{[(E)-2-phenylvinyl]sulfonyl}-1-piperazinyl)methanone

  • Molecular FormulaC27H26FN3O3S2
  • Average mass523.642 Da
  • Monoisotopic mass523.139954 Da
  • ChemSpider ID29229698

  • Double-bond stereo - Double-bond stereo

More details:

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

[6-(3-Fluorbenzyl)-6H-thieno[2,3-b]pyrrol-5-yl](3-methyl-4-{[(E)-2-phenylvinyl]sulfonyl}-1-piperazinyl)methanon [German] [ACD/IUPAC Name]
[6-(3-Fluorobenzyl)-6H-thieno[2,3-b]pyrrol-5-yl](3-methyl-4-{[(E)-2-phenylvinyl]sulfonyl}-1-piperazinyl)methanone [ACD/IUPAC Name]
[6-(3-Fluorobenzyl)-6H-thiéno[2,3-b]pyrrol-5-yl](3-méthyl-4-{[(E)-2-phénylvinyl]sulfonyl}-1-pipérazinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [6-[(3-fluorophenyl)methyl]-6H-thieno[2,3-b]pyrrol-5-yl][3-methyl-4-[[(E)-2-phenylethenyl]sulfonyl]-1-piperazinyl]- [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: 721.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 390.3±35.7 °C
Index of Refraction: 1.660
Molar Refractivity: 144.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 4.74
ACD/BCF (pH 5.5): 2362.07
ACD/KOC (pH 5.5): 9040.63
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 2362.07
ACD/KOC (pH 7.4): 9040.63
Polar Surface Area: 99 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 53.1±7.0 dyne/cm
Molar Volume: 390.6±7.0 cm3

Click to predict properties on the Chemicalize site


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