ChemSpider 2D Image | Bosutinib Isomer | C26H29Cl2N5O3

Bosutinib Isomer

  • Molecular FormulaC26H29Cl2N5O3
  • Average mass530.446 Da
  • Monoisotopic mass529.164734 Da
  • ChemSpider ID28420771

More details:






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

Bosutinib Isomer
1391063-17-4 [RN]
3-Quinolinecarbonitrile, 4-[(3,5-dichloro-4-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]- [ACD/Index Name]
4-[(3,5-Dichlor-4-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-3-chinolincarbonitril [German] [ACD/IUPAC Name]
4-[(3,5-Dichloro-4-méthoxyphényl)amino]-6-méthoxy-7-[3-(4-méthyl-1-pipérazinyl)propoxy]-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
4-[(3,5-Dichloro-4-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-3-quinolinecarbonitrile [ACD/IUPAC Name]
4-[(3,5-Dichloro-4-Methoxyphenyl)amino]-6-Methoxy-7-[3-(4-Methylpiperazin-1-Yl)propoxy]quinoline-3-Carbonitrile
Bosutinib isomer 4
MFCD22418831
PF-06651481
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 660.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 353.1±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: 5.05
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 9.96
ACD/KOC (pH 5.5): 40.87
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 520.73
ACD/KOC (pH 7.4): 2136.15
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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