ChemSpider 2D Image | (R)-Crizotinib-d5 | C21H17D5Cl2FN5O

(R)-Crizotinib-d5

  • Molecular FormulaC21H17D5Cl2FN5O
  • Average mass455.367 Da
  • Monoisotopic mass454.149933 Da
  • ChemSpider ID60498008

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(R)-Crizotinib-d5
1395950-84-1 [RN]
2-Pyridinamine, 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl-3,3,4,5,5-d5)-1H-pyrazol-4-yl]- [ACD/Index Name]
3-[(1R)-1-(2,6-Dichlor-3-fluorphenyl)ethoxy]-5-{1-[(3,3,4,5,5-2H5)-4-piperidinyl]-1H-pyrazol-4-yl}-2-pyridinamin [German] [ACD/IUPAC Name]
3-[(1R)-1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-5-{1-[(3,3,4,5,5-2H5)-4-piperidinyl]-1H-pyrazol-4-yl}-2-pyridinamine [ACD/IUPAC Name]
3-[(1R)-1-(2,6-Dichloro-3-fluorophényl)éthoxy]-5-{1-[(3,3,4,5,5-2H5)-4-pipéridinyl]-1H-pyrazol-4-yl}-2-pyridinamine [French] [ACD/IUPAC Name]
(R)-Crizotinib-d5 (piperidine-3,3,4,5,5-d5)
Crizotinib-d5

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

Density: 1.5±0.1 g/cm3
Boiling Point: 599.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 316.2±30.1 °C
Index of Refraction: 1.673
Molar Refractivity: 114.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 3.49
ACD/KOC (pH 7.4): 16.73
Polar Surface Area: 78 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 305.2±7.0 cm3

Click to predict properties on the Chemicalize site


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