ChemSpider 2D Image | N-[3-(5-{2-[Acryloyl(methyl)amino]ethoxy}-6-amino-4-pyrimidinyl)-5-fluoro-2-methylphenyl]-4-cyclopropyl-2-fluorobenzamide | C27H27F2N5O3

N-[3-(5-{2-[Acryloyl(methyl)amino]ethoxy}-6-amino-4-pyrimidinyl)-5-fluoro-2-methylphenyl]-4-cyclopropyl-2-fluorobenzamide

  • Molecular FormulaC27H27F2N5O3
  • Average mass507.532 Da
  • Monoisotopic mass507.208191 Da
  • ChemSpider ID78317000

More details:

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

1787294-07-8 [RN]
Benzamide, N-[3-[6-amino-5-[2-[methyl(1-oxo-2-propen-1-yl)amino]ethoxy]-4-pyrimidinyl]-5-fluoro-2-methylphenyl]-4-cyclopropyl-2-fluoro- [ACD/Index Name]
N-(3-{6-amino-5-[2-(N-methylprop-2-enamido)ethoxy]pyrimidin-4-yl}-5-fluoro-2-methylphenyl)-4-cyclopropyl-2-fluorobenzamide
N-[3-(5-{2-[Acryloyl(methyl)amino]ethoxy}-6-amino-4-pyrimidinyl)-5-fluor-2-methylphenyl]-4-cyclopropyl-2-fluorbenzamid [German] [ACD/IUPAC Name]
N-[3-(5-{2-[Acryloyl(methyl)amino]ethoxy}-6-amino-4-pyrimidinyl)-5-fluoro-2-methylphenyl]-4-cyclopropyl-2-fluorobenzamide [ACD/IUPAC Name]
N-[3-(5-{2-[Acryloyl(méthyl)amino]éthoxy}-6-amino-4-pyrimidinyl)-5-fluoro-2-méthylphényl]-4-cyclopropyl-2-fluorobenzamide [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4483575/
N-[3-[6-Amino-5-[2-[methyl(1-oxo-2-propen-1-yl)amino]ethoxy]-4-pyrimidinyl]-5-fluoro-2-methylphenyl]-4-cyclopropyl-2-fluorobenzamide
N-[3-[6-amino-5-[2-[methyl(prop-2-enoyl)amino]ethoxy]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-4-cyclopropyl-2-fluorobenzamide
Remibrutinib
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 634.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 337.7±31.5 °C
Index of Refraction: 1.633
Molar Refractivity: 136.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 235.17
ACD/KOC (pH 5.5): 1731.09
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 236.52
ACD/KOC (pH 7.4): 1741.01
Polar Surface Area: 110 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 57.2±3.0 dyne/cm
Molar Volume: 381.0±3.0 cm3

Click to predict properties on the Chemicalize site


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