ChemSpider 2D Image | N-[(4-{2-[(1,3-Benzodioxol-5-ylcarbonyl)amino]ethyl}phenyl)sulfonyl]-4-(2-pyrimidinyl)-1-piperazinecarboxamide | C25H26N6O6S

N-[(4-{2-[(1,3-Benzodioxol-5-ylcarbonyl)amino]ethyl}phenyl)sulfonyl]-4-(2-pyrimidinyl)-1-piperazinecarboxamide

  • Molecular FormulaC25H26N6O6S
  • Average mass538.576 Da
  • Monoisotopic mass538.163452 Da
  • ChemSpider ID66111509

More details:

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

1-Piperazinecarboxamide, N-[[4-[2-[(1,3-benzodioxol-5-ylcarbonyl)amino]ethyl]phenyl]sulfonyl]-4-(2-pyrimidinyl)- [ACD/Index Name]
N-[(4-{2-[(1,3-Benzodioxol-5-ylcarbonyl)amino]ethyl}phenyl)sulfonyl]-4-(2-pyrimidinyl)-1-piperazincarboxamid [German] [ACD/IUPAC Name]
N-[(4-{2-[(1,3-Benzodioxol-5-ylcarbonyl)amino]ethyl}phenyl)sulfonyl]-4-(2-pyrimidinyl)-1-piperazinecarboxamide [ACD/IUPAC Name]
N-[(4-{2-[(1,3-Benzodioxol-5-ylcarbonyl)amino]éthyl}phényl)sulfonyl]-4-(2-pyrimidinyl)-1-pipérazinecarboxamide [French] [ACD/IUPAC 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: 1.645
Molar Refractivity: 136.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.81
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 2.00
ACD/KOC (pH 5.5): 39.23
ACD/LogD (pH 7.4): -0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.38
Polar Surface Area: 151 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 66.5±3.0 dyne/cm
Molar Volume: 377.7±3.0 cm3

Click to predict properties on the Chemicalize site


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