ChemSpider 2D Image | zanubrutinib | C27H29N5O3

zanubrutinib

  • Molecular FormulaC27H29N5O3
  • Average mass471.551 Da
  • Monoisotopic mass471.227051 Da
  • ChemSpider ID60600294

More details:






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

7-(1-Acryloyl-4-piperidinyl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-carboxamid [German] [ACD/IUPAC Name]
7-(1-Acryloyl-4-piperidinyl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide [ACD/IUPAC Name]
7-(1-Acryloyl-4-pipéridinyl)-2-(4-phénoxyphényl)-4,5,6,7-tétrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide [French] [ACD/IUPAC Name]
Pyrazolo[1,5-a]pyrimidine-3-carboxamide, 4,5,6,7-tetrahydro-7-[1-(1-oxo-2-propen-1-yl)-4-piperidinyl]-2-(4-phenoxyphenyl)- [ACD/Index Name]
zanubrutinib
1633350-06-7 [RN]
1691249-45-2 [RN]
AG9MHG098Z
BGB-3111

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 713.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.3±3.0 kJ/mol
Flash Point: 385.2±32.9 °C
Index of Refraction: 1.680
Molar Refractivity: 133.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 212.54
ACD/KOC (pH 5.5): 1612.70
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 212.60
ACD/KOC (pH 7.4): 1613.14
Polar Surface Area: 102 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 55.4±7.0 dyne/cm
Molar Volume: 352.1±7.0 cm3

Click to predict properties on the Chemicalize site






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