ChemSpider 2D Image | 5-Oxo-5-{[1-oxo-3-phenyl-1-(6-quinolinylamino)-2-propanyl]amino}pentanoic acid | C23H23N3O4

5-Oxo-5-{[1-oxo-3-phenyl-1-(6-quinolinylamino)-2-propanyl]amino}pentanoic acid

  • Molecular FormulaC23H23N3O4
  • Average mass405.446 Da
  • Monoisotopic mass405.168854 Da
  • ChemSpider ID28567414

More details:

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

5-{[1-(6-Chinolinylamino)-1-oxo-3-phenyl-2-propanyl]amino}-5-oxopentansäure [German] [ACD/IUPAC Name]
5-Oxo-5-{[1-oxo-3-phenyl-1-(6-quinolinylamino)-2-propanyl]amino}pentanoic acid [ACD/IUPAC Name]
Acide 5-oxo-5-{[1-oxo-3-phényl-1-(6-quinoléinylamino)-2-propanyl]amino}pentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 5-oxo-5-[[2-oxo-1-(phenylmethyl)-2-(6-quinolinylamino)ethyl]amino]- [ACD/Index Name]
5-oxo-5-{[(2S)-1-oxo-3-phenyl-1-(quinolin-6-ylamino)propan-2-yl]amino}pentanoic acid
84332-83-2 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 791.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.8±3.0 kJ/mol
Flash Point: 432.7±32.9 °C
Index of Refraction: 1.655
Molar Refractivity: 113.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 2.66
ACD/KOC (pH 5.5): 36.18
ACD/LogD (pH 7.4): -0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 108 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 62.2±3.0 dyne/cm
Molar Volume: 310.5±3.0 cm3

Click to predict properties on the Chemicalize site


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