ChemSpider 2D Image | vecabrutinib | C22H24ClF4N7O2

vecabrutinib

  • Molecular FormulaC22H24ClF4N7O2
  • Average mass529.918 Da
  • Monoisotopic mass529.161621 Da
  • ChemSpider ID64835225
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(3R,3'R,4'S)-1'-(6-Amino-5-fluor-4-pyrimidinyl)-3-{[3-chlor-5-(trifluormethyl)phenyl]amino}-2-oxo-1,3'-bipiperidin-4'-carboxamid [German] [ACD/IUPAC Name]
(3R,3'R,4'S)-1'-(6-Amino-5-fluoro-4-pyrimidinyl)-3-{[3-chloro-5-(trifluoromethyl)phenyl]amino}-2-oxo-1,3'-bipiperidine-4'-carboxamide [ACD/IUPAC Name]
(3R,3'R,4'S)-1'-(6-Amino-5-fluoro-4-pyrimidinyl)-3-{[3-chloro-5-(trifluorométhyl)phényl]amino}-2-oxo-1,3'-bipipéridine-4'-carboxamide [French] [ACD/IUPAC Name]
[1,3'-Bipiperidine]-4'-carboxamide, 1'-(6-amino-5-fluoro-4-pyrimidinyl)-3-[[3-chloro-5-(trifluoromethyl)phenyl]amino]-2-oxo-, (3R,3'R,4'S)- [ACD/Index Name]
10643
1510829-06-7 [RN]
PQ7O0OB5GU
vecabrutinib [INN]
vecabrutinib [Spanish] [INN]
vécabrutinib [French] [INN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 776.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.9±3.0 kJ/mol
Flash Point: 423.1±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 123.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 87.42
ACD/KOC (pH 5.5): 782.37
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 118.39
ACD/KOC (pH 7.4): 1059.54
Polar Surface Area: 130 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 65.7±3.0 dyne/cm
Molar Volume: 351.1±3.0 cm3

Click to predict properties on the Chemicalize site






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