ChemSpider 2D Image | 4-Amino-3-{[2-({3-carboxy-4-[4-(ethoxycarbonyl)-1-piperazinyl]-4-oxobutyl}carbamoyl)-4-quinolinyl]oxy}benzoic acid | C29H31N5O9

4-Amino-3-{[2-({3-carboxy-4-[4-(ethoxycarbonyl)-1-piperazinyl]-4-oxobutyl}carbamoyl)-4-quinolinyl]oxy}benzoic acid

  • Molecular FormulaC29H31N5O9
  • Average mass593.584 Da
  • Monoisotopic mass593.212158 Da
  • ChemSpider ID8231146

More details:






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

1-Piperazinepropanoic acid, α-[2-[[[4-(2-amino-5-carboxyphenoxy)-2-quinolinyl]carbonyl]amino]ethyl]-4-(ethoxycarbonyl)-β-oxo- [ACD/Index Name]
4-Amino-3-{[2-({3-carboxy-4-[4-(ethoxycarbonyl)-1-piperazinyl]-4-oxobutyl}carbamoyl)-4-chinolinyl]oxy}benzoesäure [German] [ACD/IUPAC Name]
4-Amino-3-{[2-({3-carboxy-4-[4-(ethoxycarbonyl)-1-piperazinyl]-4-oxobutyl}carbamoyl)-4-quinolinyl]oxy}benzoic acid [ACD/IUPAC Name]
Acide 4-amino-3-{[2-({3-carboxy-4-[4-(éthoxycarbonyl)-1-pipérazinyl]-4-oxobutyl}carbamoyl)-4-quinoléinyl]oxy}benzoïque [French] [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: 899.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.9±3.0 kJ/mol
Flash Point: 497.5±34.3 °C
Index of Refraction: 1.654
Molar Refractivity: 152.5±0.3 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 2.53
ACD/LogD (pH 5.5): -0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 202 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 72.4±3.0 dyne/cm
Molar Volume: 415.9±3.0 cm3

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