ChemSpider 2D Image | 2-[(5-Chloro-2-{[2-isopropoxy-5-methyl-4-(1-methyl-4-piperidinyl)phenyl]amino}-4-pyrimidinyl)amino]-N,N-dimethylbenzenesulfonamide | C28H37ClN6O3S

2-[(5-Chloro-2-{[2-isopropoxy-5-methyl-4-(1-methyl-4-piperidinyl)phenyl]amino}-4-pyrimidinyl)amino]-N,N-dimethylbenzenesulfonamide

  • Molecular FormulaC28H37ClN6O3S
  • Average mass573.150 Da
  • Monoisotopic mass572.233643 Da
  • ChemSpider ID30831860

More details:

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

2-[(5-Chlor-2-{[2-isopropoxy-5-methyl-4-(1-methyl-4-piperidinyl)phenyl]amino}-4-pyrimidinyl)amino]-N,N-dimethylbenzolsulfonamid [German] [ACD/IUPAC Name]
2-[(5-Chloro-2-{[2-isopropoxy-5-methyl-4-(1-methyl-4-piperidinyl)phenyl]amino}-4-pyrimidinyl)amino]-N,N-dimethylbenzenesulfonamide [ACD/IUPAC Name]
2-[(5-Chloro-2-{[2-isopropoxy-5-méthyl-4-(1-méthyl-4-pipéridinyl)phényl]amino}-4-pyrimidinyl)amino]-N,N-diméthylbenzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 2-[[5-chloro-2-[[5-methyl-2-(1-methylethoxy)-4-(1-methyl-4-piperidinyl)phenyl]amino]-4-pyrimidinyl]amino]-N,N-dimethyl- [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: 693.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 373.4±34.3 °C
Index of Refraction: 1.606
Molar Refractivity: 155.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 9.41
ACD/KOC (pH 5.5): 25.95
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 286.24
ACD/KOC (pH 7.4): 789.04
Polar Surface Area: 108 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 451.4±3.0 cm3

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