ChemSpider 2D Image | 4-({5-Amino-6-[(5-chloro-2,4-dimethoxyphenyl)amino]-4-pyrimidinyl}amino)-N,N-diethylbenzenesulfonamide | C22H27ClN6O4S

4-({5-Amino-6-[(5-chloro-2,4-dimethoxyphenyl)amino]-4-pyrimidinyl}amino)-N,N-diethylbenzenesulfonamide

  • Molecular FormulaC22H27ClN6O4S
  • Average mass507.006 Da
  • Monoisotopic mass506.150299 Da
  • ChemSpider ID12085722

More details:

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

4-({5-Amino-6-[(5-chlor-2,4-dimethoxyphenyl)amino]-4-pyrimidinyl}amino)-N,N-diethylbenzolsulfonamid [German] [ACD/IUPAC Name]
4-({5-Amino-6-[(5-chloro-2,4-dimethoxyphenyl)amino]-4-pyrimidinyl}amino)-N,N-diethylbenzenesulfonamide [ACD/IUPAC Name]
4-({5-Amino-6-[(5-chloro-2,4-diméthoxyphényl)amino]-4-pyrimidinyl}amino)-N,N-diéthylbenzènesulfonamide [French] [ACD/IUPAC Name]
4-({5-Amino-6-[(5-chloro-2,4-dimethoxyphenyl)amino]pyrimidin-4-yl}amino)-N,N-diethylbenzenesulfonamide
Benzenesulfonamide, 4-[[5-amino-6-[(5-chloro-2,4-dimethoxyphenyl)amino]-4-pyrimidinyl]amino]-N,N-diethyl- [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: 637.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 339.2±34.3 °C
Index of Refraction: 1.632
Molar Refractivity: 131.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 6.70
ACD/LogD (pH 5.5): 5.31
ACD/BCF (pH 5.5): 6081.19
ACD/KOC (pH 5.5): 16637.15
ACD/LogD (pH 7.4): 5.41
ACD/BCF (pH 7.4): 7671.77
ACD/KOC (pH 7.4): 20988.73
Polar Surface Area: 140 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 64.2±3.0 dyne/cm
Molar Volume: 368.7±3.0 cm3

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