ChemSpider 2D Image | Ethyl 2-[2-amino-3-cyano-4-(3-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-1(4H)-quinolinyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | C27H26N4O5S

Ethyl 2-[2-amino-3-cyano-4-(3-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-1(4H)-quinolinyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Molecular FormulaC27H26N4O5S
  • Average mass518.584 Da
  • Monoisotopic mass518.162415 Da
  • ChemSpider ID2796034

More details:

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

2-[2-Amino-3-cyano-4-(3-nitrophényl)-5-oxo-5,6,7,8-tétrahydro-1(4H)-quinoléinyl]-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxylic acid, 2-[2-amino-3-cyano-5,6,7,8-tetrahydro-4-(3-nitrophenyl)-5-oxo-1(4H)-quinolinyl]-4,5,6,7-tetrahydro-, ethyl ester [ACD/Index Name]
Ethyl 2-[2-amino-3-cyano-4-(3-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-1(4H)-quinolinyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-[2-amino-3-cyan-4-(3-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-1(4H)-chinolinyl]-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxylat [German] [ACD/IUPAC Name]
2-[2-Amino-3-cyano-4-(3-nitro-phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-quinolin-1-yl]-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester
ethyl 2-[2-amino-3-cyano-4-(3-nitrophenyl)-5-oxo-1,4,6,7,8-pentahydroquinolyl]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
ethyl 2-[2-amino-3-cyano-4-(3-nitrophenyl)-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

A1953/0082113 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 808.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.5±3.0 kJ/mol
Flash Point: 442.5±34.3 °C
Index of Refraction: 1.683
Molar Refractivity: 136.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 1773.82
ACD/KOC (pH 5.5): 7346.33
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 1789.45
ACD/KOC (pH 7.4): 7411.06
Polar Surface Area: 170 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 75.5±5.0 dyne/cm
Molar Volume: 360.0±5.0 cm3

Click to predict properties on the Chemicalize site


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