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

Methyl 2-[2-amino-3-cyano-4-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-1(4H)-quinolinyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

  • Molecular FormulaC27H26N4O5S
  • Average mass518.584 Da
  • Monoisotopic mass518.162415 Da
  • ChemSpider ID3482483

More details:

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

2-[2-Amino-3-cyano-4-(4-nitrophényl)-5-oxo-5,6,7,8-tétrahydro-1(4H)-quinoléinyl]-5,6,7,8-tétrahydro-4H-cyclohepta[b]thiophène-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
4H-Cyclohepta[b]thiophene-3-carboxylic acid, 2-[2-amino-3-cyano-5,6,7,8-tetrahydro-4-(4-nitrophenyl)-5-oxo-1(4H)-quinolinyl]-5,6,7,8-tetrahydro-, methyl ester [ACD/Index Name]
Methyl 2-[2-amino-3-cyano-4-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-1(4H)-quinolinyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate [ACD/IUPAC Name]
Methyl-2-[2-amino-3-cyan-4-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-1(4H)-chinolinyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-carboxylat [German] [ACD/IUPAC Name]
2-[2-Amino-3-cyano-4-(4-nitro-phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-quinolin-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester
312281-19-9 [RN]
AC1N7AX1
AGN-PC-0L8DBG
AKOS001703124
AKOS022012863
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

A1766/0074867 [DBID]
AG-205/11559040 [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: 825.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.0 mmHg at 25°C
    Enthalpy of Vaporization: 119.9±3.0 kJ/mol
    Flash Point: 452.7±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: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 4.12
    ACD/LogD (pH 5.5): 4.60
    ACD/BCF (pH 5.5): 1843.91
    ACD/KOC (pH 5.5): 7555.63
    ACD/LogD (pH 7.4): 4.60
    ACD/BCF (pH 7.4): 1857.86
    ACD/KOC (pH 7.4): 7612.79
    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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