ChemSpider 2D Image | PF-06663181 | C26H29Cl2N5O3

PF-06663181

  • Molecular FormulaC26H29Cl2N5O3
  • Average mass530.446 Da
  • Monoisotopic mass529.164734 Da
  • ChemSpider ID49071005

More details:






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

3-Quinolinecarbonitrile, 4-[(2,6-dichloro-3-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]- [ACD/Index Name]
4-(2,6-Dichloro-3-methoxy-phenylamino)-6-methoxy-7-[3-(4-methyl-piperazin-1-yl)-propoxy]-quinoline-3-carbonitrile
4-[(2,6-Dichlor-3-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-3-chinolincarbonitril [German] [ACD/IUPAC Name]
4-[(2,6-Dichloro-3-méthoxyphényl)amino]-6-méthoxy-7-[3-(4-méthyl-1-pipérazinyl)propoxy]-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
4-[(2,6-Dichloro-3-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-3-quinolinecarbonitrile [ACD/IUPAC Name]
Bosutinib isomer 5
MFCD29037207
PF-06663181
PF-06663181-00

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

Density: 1.4±0.1 g/cm3
Boiling Point: 637.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 339.1±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: 5.39
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 10.58
ACD/KOC (pH 5.5): 42.98
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 538.94
ACD/KOC (pH 7.4): 2190.00
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

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