ChemSpider 2D Image | Ethyl 2-[(3-{4-[(E)-2-phenylvinyl]-1-piperazinyl}-2-quinoxalinyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | C31H33N5O2S

Ethyl 2-[(3-{4-[(E)-2-phenylvinyl]-1-piperazinyl}-2-quinoxalinyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Molecular FormulaC31H33N5O2S
  • Average mass539.691 Da
  • Monoisotopic mass539.235474 Da
  • ChemSpider ID1480044

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(3-{4-[(E)-2-Phénylvinyl]-1-pipérazinyl}-2-quinoxalinyl)amino]-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-[[3-[4-[(E)-2-phenylethenyl]-1-piperazinyl]-2-quinoxalinyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 2-[(3-{4-[(E)-2-phenylvinyl]-1-piperazinyl}-2-quinoxalinyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Ethyl 2-[(3-{4-[(E)-2-phenylvinyl]piperazin-1-yl}quinoxalin-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Ethyl-2-[(3-{4-[(E)-2-phenylvinyl]-1-piperazinyl}-2-chinoxalinyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxylat [German] [ACD/IUPAC Name]
369396-18-9 [RN]
ethyl 2-[(3-{4-[(E)-2-phenylethenyl]piperazin-1-yl}quinoxalin-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[[3-[4-[(E)-2-phenylethenyl]piperazin-1-yl]quinoxalin-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 714.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 385.9±32.9 °C
Index of Refraction: 1.726
Molar Refractivity: 162.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.83
ACD/LogD (pH 5.5): 6.78
ACD/BCF (pH 5.5): 59097.52
ACD/KOC (pH 5.5): 59366.43
ACD/LogD (pH 7.4): 7.41
ACD/BCF (pH 7.4): 251435.94
ACD/KOC (pH 7.4): 252580.06
Polar Surface Area: 99 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 70.1±3.0 dyne/cm
Molar Volume: 408.2±3.0 cm3

Click to predict properties on the Chemicalize site


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