ChemSpider 2D Image | 4-(4-{2-(4-Chlorophenyl)-6-[4-(4-nitrophenyl)-1-piperazinyl]-4-pyrimidinyl}-1-piperazinyl)-N-cyclohexylbenzenesulfonamide | C36H41ClN8O4S

4-(4-{2-(4-Chlorophenyl)-6-[4-(4-nitrophenyl)-1-piperazinyl]-4-pyrimidinyl}-1-piperazinyl)-N-cyclohexylbenzenesulfonamide

  • Molecular FormulaC36H41ClN8O4S
  • Average mass717.280 Da
  • Monoisotopic mass716.265991 Da
  • ChemSpider ID121953439

More details:

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

4-(4-{2-(4-Chlorophenyl)-6-[4-(4-nitrophenyl)-1-piperazinyl]-4-pyrimidinyl}-1-piperazinyl)-N-cyclohexylbenzenesulfonamide [ACD/IUPAC Name]
4-(4-{2-(4-Chlorophényl)-6-[4-(4-nitrophényl)-1-pipérazinyl]-4-pyrimidinyl}-1-pipérazinyl)-N-cyclohexylbenzènesulfonamide [French] [ACD/IUPAC Name]
4-(4-{2-(4-Chlorphenyl)-6-[4-(4-nitrophenyl)-1-piperazinyl]-4-pyrimidinyl}-1-piperazinyl)-N-cyclohexylbenzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 4-[4-[2-(4-chlorophenyl)-6-[4-(4-nitrophenyl)-1-piperazinyl]-4-pyrimidinyl]-1-piperazinyl]-N-cyclohexyl- [ACD/Index 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: 850.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.5±3.0 kJ/mol
Flash Point: 467.9±37.1 °C
Index of Refraction: 1.710
Molar Refractivity: 194.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 6.69
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 69.77
ACD/KOC (pH 5.5): 141.74
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 101.19
ACD/KOC (pH 7.4): 205.57
Polar Surface Area: 139 Å2
Polarizability: 76.9±0.5 10-24cm3
Surface Tension: 80.9±5.0 dyne/cm
Molar Volume: 496.4±5.0 cm3

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