Found 44 results

Search term: MF = 'C_{29}H_{30}BrN_{3}O_{4}S'
ChemSpider 2D Image | Methyl 4-(4-bromophenyl)-2-({[6-(diethylamino)-8-methyl-4-oxo-1,4-dihydro-2-quinolinyl]carbonyl}amino)-5-ethyl-3-thiophenecarboxylate | C29H30BrN3O4S

Methyl 4-(4-bromophenyl)-2-({[6-(diethylamino)-8-methyl-4-oxo-1,4-dihydro-2-quinolinyl]carbonyl}amino)-5-ethyl-3-thiophenecarboxylate

  • Molecular FormulaC29H30BrN3O4S
  • Average mass596.535 Da
  • Monoisotopic mass595.114014 Da
  • ChemSpider ID120620306

More details:

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

3-Thiophenecarboxylic acid, 4-(4-bromophenyl)-2-[[[6-(diethylamino)-1,4-dihydro-8-methyl-4-oxo-2-quinolinyl]carbonyl]amino]-5-ethyl-, methyl ester [ACD/Index Name]
4-(4-Bromophényl)-2-({[6-(diéthylamino)-8-méthyl-4-oxo-1,4-dihydro-2-quinoléinyl]carbonyl}amino)-5-éthyl-3-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-(4-bromophenyl)-2-({[6-(diethylamino)-8-methyl-4-oxo-1,4-dihydro-2-quinolinyl]carbonyl}amino)-5-ethyl-3-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-4-(4-bromphenyl)-2-({[6-(diethylamino)-8-methyl-4-oxo-1,4-dihydro-2-chinolinyl]carbonyl}amino)-5-ethyl-3-thiophencarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 759.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 413.1±32.9 °C
Index of Refraction: 1.648
Molar Refractivity: 155.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 10.02
ACD/LogD (pH 5.5): 6.21
ACD/BCF (pH 5.5): 15620.40
ACD/KOC (pH 5.5): 15580.49
ACD/LogD (pH 7.4): 7.36
ACD/BCF (pH 7.4): 220725.75
ACD/KOC (pH 7.4): 220161.80
Polar Surface Area: 116 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 56.1±3.0 dyne/cm
Molar Volume: 427.6±3.0 cm3

Click to predict properties on the Chemicalize site


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