ChemSpider 2D Image | 4-({5-Amino-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl}amino)-N,N-diethylbenzenesulfonamide | C26H35N7O2S

4-({5-Amino-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl}amino)-N,N-diethylbenzenesulfonamide

  • Molecular FormulaC26H35N7O2S
  • Average mass509.667 Da
  • Monoisotopic mass509.257294 Da
  • ChemSpider ID12085726

More details:

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

4-({5-Amino-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl}amino)-N,N-diethylbenzenesulfonamide
benzenesulfonamide, 4-[[5-amino-6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-4-pyrimidinyl]amino]-N,N-diethyl-

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 707.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 381.5±35.7 °C
Index of Refraction: 1.632
Molar Refractivity: 143.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.76
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 61.74
ACD/KOC (pH 5.5): 240.96
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1611.20
ACD/KOC (pH 7.4): 6288.55
Polar Surface Area: 116 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 60.0±3.0 dyne/cm
Molar Volume: 402.8±3.0 cm3

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