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ChemSpider 2D Image | 4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-{3-[4-methyl(~2~H_8_)-1-piperazinyl]propoxy}-3-quinolinecarbonitrile | C26H21D8Cl2N5O3

4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-{3-[4-methyl(2H8)-1-piperazinyl]propoxy}-3-quinolinecarbonitrile

  • Molecular FormulaC26H21D8Cl2N5O3
  • Average mass538.495 Da
  • Monoisotopic mass537.214966 Da
  • ChemSpider ID58779587
  • Non-standard isotope - Non-standard isotope


More details:






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

3-Quinolinecarbonitrile, 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methyl-1-piperazinyl-2,2,3,3,5,5,6,6-d8)propoxy]- [ACD/Index Name]
4-[(2,4-Dichlor-5-methoxyphenyl)amino]-6-methoxy-7-{3-[4-methyl(2H8)-1-piperazinyl]propoxy}-3-chinolincarbonitril [German] [ACD/IUPAC Name]
4-[(2,4-Dichloro-5-méthoxyphényl)amino]-6-méthoxy-7-{3-[4-méthyl(2H8)-1-pipérazinyl]propoxy}-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-{3-[4-methyl(2H8)-1-piperazinyl]propoxy}-3-quinolinecarbonitrile [ACD/IUPAC Name]
Bosutinib-d8

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 649.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 346.7±31.5 °C
Index of Refraction: 1.652
Molar Refractivity: 141.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 9.06
ACD/KOC (pH 5.5): 38.42
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 464.03
ACD/KOC (pH 7.4): 1967.17
Polar Surface Area: 83 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 66.2±5.0 dyne/cm
Molar Volume: 388.3±5.0 cm3

Click to predict properties on the Chemicalize site






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