ChemSpider 2D Image | 4-{2-[(Ethylcarbamothioyl)amino]ethyl}-N-{[4-(4-methyl-1-piperazinyl)phenyl]carbamoyl}benzenesulfonamide | C23H32N6O3S2

4-{2-[(Ethylcarbamothioyl)amino]ethyl}-N-{[4-(4-methyl-1-piperazinyl)phenyl]carbamoyl}benzenesulfonamide

  • Molecular FormulaC23H32N6O3S2
  • Average mass504.669 Da
  • Monoisotopic mass504.197723 Da
  • ChemSpider ID66136541

More details:

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

4-{2-[(Ethylcarbamothioyl)amino]ethyl}-N-{[4-(4-methyl-1-piperazinyl)phenyl]carbamoyl}benzenesulfonamide [ACD/IUPAC Name]
4-{2-[(Éthylcarbamothioyl)amino]éthyl}-N-{[4-(4-méthyl-1-pipérazinyl)phényl]carbamoyl}benzènesulfonamide [French] [ACD/IUPAC Name]
4-{2-[(Ethylcarbamothioyl)amino]ethyl}-N-{[4-(4-methyl-1-piperazinyl)phenyl]carbamoyl}benzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 4-[2-[[(ethylamino)thioxomethyl]amino]ethyl]-N-[[[4-(4-methyl-1-piperazinyl)phenyl]amino]carbonyl]- [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: 1.632
Molar Refractivity: 138.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.39
ACD/LogD (pH 5.5): -0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.10
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.87
Polar Surface Area: 146 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 59.8±3.0 dyne/cm
Molar Volume: 389.3±3.0 cm3

Click to predict properties on the Chemicalize site


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