ChemSpider 2D Image | 3-[(4-Benzyl-1-piperazinyl)sulfonyl]-N-{2-[(3-fluorophenyl)amino]-2-oxoethyl}-N-methylbenzamide | C27H29FN4O4S

3-[(4-Benzyl-1-piperazinyl)sulfonyl]-N-{2-[(3-fluorophenyl)amino]-2-oxoethyl}-N-methylbenzamide

  • Molecular FormulaC27H29FN4O4S
  • Average mass524.607 Da
  • Monoisotopic mass524.189331 Da
  • ChemSpider ID22558383

More details:

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

3-[(4-Benzyl-1-piperazinyl)sulfonyl]-N-{2-[(3-fluorophenyl)amino]-2-oxoethyl}-N-methylbenzamide [ACD/IUPAC Name]
3-[(4-Benzyl-1-pipérazinyl)sulfonyl]-N-{2-[(3-fluorophényl)amino]-2-oxoéthyl}-N-méthylbenzamide [French] [ACD/IUPAC Name]
3-[(4-Benzyl-1-piperazinyl)sulfonyl]-N-{2-[(3-fluorphenyl)amino]-2-oxoethyl}-N-methylbenzamid [German] [ACD/IUPAC Name]
Benzamide, N-[2-[(3-fluorophenyl)amino]-2-oxoethyl]-N-methyl-3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.636
Molar Refractivity: 140.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 66.72
ACD/KOC (pH 5.5): 623.17
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 101.65
ACD/KOC (pH 7.4): 949.47
Polar Surface Area: 98 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 59.3±3.0 dyne/cm
Molar Volume: 391.1±3.0 cm3

Click to predict properties on the Chemicalize site


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