ChemSpider 2D Image | 2-[(5-Chloro-2-{[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)amino]-N-isopropylbenzenesulfonamide | C25H32ClN7O3S

2-[(5-Chloro-2-{[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)amino]-N-isopropylbenzenesulfonamide

  • Molecular FormulaC25H32ClN7O3S
  • Average mass546.085 Da
  • Monoisotopic mass545.197571 Da
  • ChemSpider ID8635512

More details:

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

2-[(5-Chlor-2-{[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)amino]-N-isopropylbenzolsulfonamid [German] [ACD/IUPAC Name]
2-[(5-Chloro-2-{[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)amino]-N-isopropylbenzenesulfonamide [ACD/IUPAC Name]
2-[(5-Chloro-2-{[2-méthoxy-4-(4-méthyl-1-pipérazinyl)phényl]amino}-4-pyrimidinyl)amino]-N-isopropylbenzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 2-[[5-chloro-2-[[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]amino]-N-(1-methylethyl)- [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: 720.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 389.6±35.7 °C
Index of Refraction: 1.625
Molar Refractivity: 145.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 15.17
ACD/KOC (pH 5.5): 65.46
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 667.42
ACD/KOC (pH 7.4): 2880.77
Polar Surface Area: 120 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 58.8±3.0 dyne/cm
Molar Volume: 411.2±3.0 cm3

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