ChemSpider 2D Image | Ethyl 2-[(3-{[(3-nitrophenyl)sulfonyl]amino}-2-quinoxalinyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate | C24H21N5O6S2

Ethyl 2-[(3-{[(3-nitrophenyl)sulfonyl]amino}-2-quinoxalinyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

  • Molecular FormulaC24H21N5O6S2
  • Average mass539.583 Da
  • Monoisotopic mass539.093323 Da
  • ChemSpider ID3366116

More details:

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

2-[(3-{[(3-Nitrophényl)sulfonyl]amino}-2-quinoxalinyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophène-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
4H-Cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[3-[[(3-nitrophenyl)sulfonyl]amino]-2-quinoxalinyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 2-[(3-{[(3-nitrophenyl)sulfonyl]amino}-2-quinoxalinyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-[(3-{[(3-nitrophenyl)sulfonyl]amino}-2-chinoxalinyl)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: 1.5±0.1 g/cm3
Boiling Point: 718.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.0±3.0 kJ/mol
Flash Point: 388.5±35.7 °C
Index of Refraction: 1.713
Molar Refractivity: 137.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 7.39
ACD/LogD (pH 5.5): 6.25
ACD/BCF (pH 5.5): 27031.19
ACD/KOC (pH 5.5): 40992.58
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 1196.65
ACD/KOC (pH 7.4): 1814.72
Polar Surface Area: 193 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 82.5±3.0 dyne/cm
Molar Volume: 350.0±3.0 cm3

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