ChemSpider 2D Image | 4-{[4-({[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}sulfamoyl)benzyl]amino}-4-oxobutanoic acid | C24H28N4O8S

4-{[4-({[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}sulfamoyl)benzyl]amino}-4-oxobutanoic acid

  • Molecular FormulaC24H28N4O8S
  • Average mass532.566 Da
  • Monoisotopic mass532.162781 Da
  • ChemSpider ID66084684

More details:

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

4-{[4-({[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}sulfamoyl)benzyl]amino}-4-oxobutanoic acid [ACD/IUPAC Name]
4-{[4-({[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}sulfamoyl)benzyl]amino}-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-{[4-({[4-(1,3-benzodioxol-5-ylméthyl)-1-pipérazinyl]carbonyl}sulfamoyl)benzyl]amino}-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[[4-[[[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl]amino]sulfonyl]phenyl]methyl]amino]-4-oxo- [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.632
Molar Refractivity: 132.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -0.28
ACD/LogD (pH 5.5): -1.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 65.9±3.0 dyne/cm
Molar Volume: 370.7±3.0 cm3

Click to predict properties on the Chemicalize site


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