ChemSpider 2D Image | acalabrutinib | C26H23N7O2

acalabrutinib

  • Molecular FormulaC26H23N7O2
  • Average mass465.507 Da
  • Monoisotopic mass465.191315 Da
  • ChemSpider ID64870108

More details:

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

4-{8-Amino-3-[(2S)-1-(2-butynoyl)-2-pyrrolidinyl]imidazo[1,5-a]pyrazin-1-yl}-N-(2-pyridinyl)benzamid [German] [ACD/IUPAC Name]
4-{8-Amino-3-[(2S)-1-(2-butynoyl)-2-pyrrolidinyl]imidazo[1,5-a]pyrazin-1-yl}-N-(2-pyridinyl)benzamide [ACD/IUPAC Name]
4-{8-Amino-3-[(2S)-1-(2-butynoyl)-2-pyrrolidinyl]imidazo[1,5-a]pyrazin-1-yl}-N-(2-pyridinyl)benzamide [French] [ACD/IUPAC Name]
acalabrutinib [INN] [USAN] [Wiki]
Benzamide, 4-[8-amino-3-[(2S)-1-(1-oxo-2-butyn-1-yl)-2-pyrrolidinyl]imidazo[1,5-a]pyrazin-1-yl]-N-2-pyridinyl- [ACD/Index Name]
1420477-60-6 [RN]
1952316-43-6 [RN]
Acalabrutinib (ACP-196)
Acalabrutinib (JAN/USAN/INN)
ACALABRUTINIB ENANTIOMER
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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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.715
Molar Refractivity: 133.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.77
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 1.86
ACD/KOC (pH 5.5): 43.94
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 3.85
ACD/KOC (pH 7.4): 90.95
Polar Surface Area: 119 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 59.8±7.0 dyne/cm
Molar Volume: 339.0±7.0 cm3

Click to predict properties on the Chemicalize site


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