ChemSpider 2D Image | Methyl 2-{4-[(5-carbamoyl-2-furyl)sulfonyl]-1-piperazinyl}-5-sulfamoylbenzoate | C17H20N4O8S2

Methyl 2-{4-[(5-carbamoyl-2-furyl)sulfonyl]-1-piperazinyl}-5-sulfamoylbenzoate

  • Molecular FormulaC17H20N4O8S2
  • Average mass472.493 Da
  • Monoisotopic mass472.072266 Da
  • ChemSpider ID33467001

More details:

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

2-{4-[(5-Carbamoyl-2-furyl)sulfonyl]-1-pipérazinyl}-5-sulfamoylbenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[4-[[5-(aminocarbonyl)-2-furanyl]sulfonyl]-1-piperazinyl]-5-(aminosulfonyl)-, methyl ester [ACD/Index Name]
Methyl 2-{4-[(5-carbamoyl-2-furyl)sulfonyl]-1-piperazinyl}-5-sulfamoylbenzoate [ACD/IUPAC Name]
Methyl-2-{4-[(5-carbamoyl-2-furyl)sulfonyl]-1-piperazinyl}-5-sulfamoylbenzoat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 762.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 414.7±35.7 °C
Index of Refraction: 1.624
Molar Refractivity: 108.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.77
ACD/LogD (pH 5.5): -0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.42
ACD/LogD (pH 7.4): -0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.42
Polar Surface Area: 200 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 66.5±3.0 dyne/cm
Molar Volume: 308.4±3.0 cm3

Click to predict properties on the Chemicalize site


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