ChemSpider 2D Image | 5-Chloro-N~2~-[4-(4-ethyl-1-piperazinyl)phenyl]-N~4~-(1H-indazol-5-yl)-2,4-pyrimidinediamine | C23H25ClN8

5-Chloro-N2-[4-(4-ethyl-1-piperazinyl)phenyl]-N4-(1H-indazol-5-yl)-2,4-pyrimidinediamine

  • Molecular FormulaC23H25ClN8
  • Average mass448.951 Da
  • Monoisotopic mass448.189056 Da
  • ChemSpider ID24808892

More details:

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

2,4-Pyrimidinediamine, 5-chloro-N2-[4-(4-ethyl-1-piperazinyl)phenyl]-N4-1H-indazol-5-yl- [ACD/Index Name]
5-Chlor-N2-[4-(4-ethyl-1-piperazinyl)phenyl]-N4-(1H-indazol-5-yl)-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
5-Chloro-N2-[4-(4-ethyl-1-piperazinyl)phenyl]-N4-(1H-indazol-5-yl)-2,4-pyrimidinediamine [ACD/IUPAC Name]
5-Chloro-N2-[4-(4-éthyl-1-pipérazinyl)phényl]-N4-(1H-indazol-5-yl)-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
Kinome_1209

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

Density: 1.4±0.1 g/cm3
Boiling Point: 699.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 376.6±34.3 °C
Index of Refraction: 1.724
Molar Refractivity: 129.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 1.84
ACD/KOC (pH 5.5): 10.90
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 107.97
ACD/KOC (pH 7.4): 639.57
Polar Surface Area: 85 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 74.1±3.0 dyne/cm
Molar Volume: 326.5±3.0 cm3

Click to predict properties on the Chemicalize site


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