ChemSpider 2D Image | 4-OXO-3-{6-[4-(QUINOXALIN-2-YLOXY)-BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-BUTYRIC ACID | C29H28N4O6S

4-OXO-3-{6-[4-(QUINOXALIN-2-YLOXY)-BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-BUTYRIC ACID

  • Molecular FormulaC29H28N4O6S
  • Average mass560.621 Da
  • Monoisotopic mass560.172974 Da
  • ChemSpider ID4451544

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S)-3-{[(2R)-6-{[4-(2-Chinoxalinyloxy)benzoyl]amino}-2-(2-thienyl)hexanoyl]amino}-4-oxobutansäure [German] [ACD/IUPAC Name]
(3S)-4-Oxo-3-{[(2R)-6-{[4-(2-quinoxalinyloxy)benzoyl]amino}-2-(2-thienyl)hexanoyl]amino}butanoic acid [ACD/IUPAC Name]
4-OXO-3-{6-[4-(QUINOXALIN-2-YLOXY)-BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-BUTYRIC ACID
Acide (3S)-4-oxo-3-{[(2R)-6-{[4-(2-quinoxalinyloxy)benzoyl]amino}-2-(2-thiényl)hexanoyl]amino}butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-oxo-3-[[(2R)-1-oxo-6-[[4-(2-quinoxalinyloxy)benzoyl]amino]-2-(2-thienyl)hexyl]amino]-, (3S)- [ACD/Index Name]
YBH

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

Density: 1.3±0.1 g/cm3
Boiling Point: 871.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.7±3.0 kJ/mol
Flash Point: 480.9±34.3 °C
Index of Refraction: 1.637
Molar Refractivity: 150.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 10.42
ACD/KOC (pH 5.5): 69.86
ACD/LogD (pH 7.4): 0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.29
Polar Surface Area: 176 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 62.4±3.0 dyne/cm
Molar Volume: 418.7±3.0 cm3

Click to predict properties on the Chemicalize site


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