ChemSpider 2D Image | lorlatinib | C21H19FN6O2

lorlatinib

  • Molecular FormulaC21H19FN6O2
  • Average mass406.413 Da
  • Monoisotopic mass406.155365 Da
  • ChemSpider ID35143249

More details:

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

19-Amino-13-fluor-4,8,16-trimethyl-9-oxo-17-oxa-4,5,8,20-tetraazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10,12,14,18,20-octaen-3-carbonitril [German] [ACD/IUPAC Name]
19-Amino-13-fluoro-4,8,16-trimethyl-9-oxo-17-oxa-4,5,8,20-tetraazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10,12,14,18,20-octaene-3-carbonitrile [ACD/IUPAC Name]
19-Amino-13-fluoro-4,8,16-triméthyl-9-oxo-17-oxa-4,5,8,20-tétraazatétracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10,12,14,18,20-octaène-3-carbonitrile [French] [ACD/IUPAC Name]
2H-8,4-Methenopyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, 7-amino-12-fluoro-10,15,16,17-tetrahydro-2,10,16-trimethyl-15-oxo- [ACD/Index Name]
lorlatinib [INN] [USAN] [Wiki]
26-amino-55-fluoro-11,4,7-trimethyl-6-oxo-11H-3-oxa-7-aza-2(3,5)-pyridina-1(4,3)-pyrazola-5(1,2)-benzenacyclooctaphane-15-carbonitrile
D11012
Lorbrena (TN)
Lorlatinib (JAN/USAN/INN)
Lorlatinib (PF-6463922)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 675.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 362.1±31.5 °C
Index of Refraction: 1.687
Molar Refractivity: 108.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 1.65
ACD/KOC (pH 5.5): 34.10
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 6.09
ACD/KOC (pH 7.4): 125.55
Polar Surface Area: 110 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 285.0±7.0 cm3

Click to predict properties on the Chemicalize site


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