ChemSpider 2D Image | 4-({3-[4-(2-Furoyl)-1-piperazinyl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)butanoic acid | C27H24N4O6

4-({3-[4-(2-Furoyl)-1-piperazinyl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)butanoic acid

  • Molecular FormulaC27H24N4O6
  • Average mass500.503 Da
  • Monoisotopic mass500.169586 Da
  • ChemSpider ID4230022

More details:

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

4-({3-[4-(2-Furoyl)-1-piperazinyl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)butanoic acid [ACD/IUPAC Name]
4-({3-[4-(2-Furoyl)-1-piperazinyl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)butansäure [German] [ACD/IUPAC Name]
Acide 4-({3-[4-(2-furoyl)-1-pipérazinyl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[3-[4-(2-furanylcarbonyl)-1-piperazinyl]-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl]amino]- [ACD/Index Name]
cid_5052536

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

EU-0054675 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 848.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.3±3.0 kJ/mol
Flash Point: 467.2±34.3 °C
Index of Refraction: 1.706
Molar Refractivity: 132.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.32
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 129 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 76.4±3.0 dyne/cm
Molar Volume: 341.7±3.0 cm3

Click to predict properties on the Chemicalize site


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