ChemSpider 2D Image | 5-Bromo-2-({[4-(ethylsulfonyl)-1-piperazinyl]carbonyl}amino)benzoic acid | C14H18BrN3O5S

5-Bromo-2-({[4-(ethylsulfonyl)-1-piperazinyl]carbonyl}amino)benzoic acid

  • Molecular FormulaC14H18BrN3O5S
  • Average mass420.279 Da
  • Monoisotopic mass419.015045 Da
  • ChemSpider ID66474371

More details:

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

5-Brom-2-({[4-(ethylsulfonyl)-1-piperazinyl]carbonyl}amino)benzoesäure [German] [ACD/IUPAC Name]
5-Bromo-2-({[4-(ethylsulfonyl)-1-piperazinyl]carbonyl}amino)benzoic acid [ACD/IUPAC Name]
Acide 5-bromo-2-({[4-(éthylsulfonyl)-1-pipérazinyl]carbonyl}amino)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-bromo-2-[[[4-(ethylsulfonyl)-1-piperazinyl]carbonyl]amino]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.665
Molar Refractivity: 91.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.09
ACD/LogD (pH 7.4): -0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 77.8±5.0 dyne/cm
Molar Volume: 246.4±5.0 cm3

Click to predict properties on the Chemicalize site


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