ChemSpider 2D Image | 5-Chloro-N~4~-[2-(isopropylsulfonyl)-3-pyridinyl]-N~2~-[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]-2,4-pyrimidinediamine | C24H30ClN7O3S

5-Chloro-N4-[2-(isopropylsulfonyl)-3-pyridinyl]-N2-[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]-2,4-pyrimidinediamine

  • Molecular FormulaC24H30ClN7O3S
  • Average mass532.058 Da
  • Monoisotopic mass531.181946 Da
  • ChemSpider ID129072145

More details:

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

2,4-Pyrimidinediamine, 5-chloro-N2-[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]-N4-[2-[(1-methylethyl)sulfonyl]-3-pyridinyl]- [ACD/Index Name]
5-Chlor-N4-[2-(isopropylsulfonyl)-3-pyridinyl]-N2-[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
5-Chloro-N4-[2-(isopropylsulfonyl)-3-pyridinyl]-N2-[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]-2,4-pyrimidinediamine [ACD/IUPAC Name]
5-Chloro-N4-[2-(isopropylsulfonyl)-3-pyridinyl]-N2-[2-méthoxy-4-(4-méthyl-1-pipérazinyl)phényl]-2,4-pyrimidinediamine [French] [ACD/IUPAC 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: 747.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 406.0±35.7 °C
Index of Refraction: 1.624
Molar Refractivity: 139.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 3.38
ACD/KOC (pH 5.5): 22.58
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 143.33
ACD/KOC (pH 7.4): 958.48
Polar Surface Area: 121 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 61.1±3.0 dyne/cm
Molar Volume: 395.6±3.0 cm3

Click to predict properties on the Chemicalize site


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