ChemSpider 2D Image | N-({4-[(4-Bromophenyl)sulfonyl]-1-piperazinyl}carbonyl)-beta-alanine | C14H18BrN3O5S

N-({4-[(4-Bromophenyl)sulfonyl]-1-piperazinyl}carbonyl)-β-alanine

  • Molecular FormulaC14H18BrN3O5S
  • Average mass420.279 Da
  • Monoisotopic mass419.015045 Da
  • ChemSpider ID66466976

More details:

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

N-({4-[(4-Bromophenyl)sulfonyl]-1-piperazinyl}carbonyl)-β-alanine [ACD/IUPAC Name]
N-({4-[(4-Bromophényl)sulfonyl]-1-pipérazinyl}carbonyl)-β-alanine [French] [ACD/IUPAC Name]
N-({4-[(4-Bromphenyl)sulfonyl]-1-piperazinyl}carbonyl)-β-alanin [German] [ACD/IUPAC Name]
β-Alanine, N-[[4-[(4-bromophenyl)sulfonyl]-1-piperazinyl]carbonyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.622
Molar Refractivity: 91.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.29
ACD/LogD (pH 7.4): -1.29
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: 63.7±3.0 dyne/cm
Molar Volume: 259.7±3.0 cm3

Click to predict properties on the Chemicalize site


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