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ChemSpider 2D Image | evobrutinib | C25H27N5O2

evobrutinib

  • Molecular FormulaC25H27N5O2
  • Average mass429.514 Da
  • Monoisotopic mass429.216461 Da
  • ChemSpider ID58827807

More details:

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

1-[4-({[6-Amino-5-(4-phenoxyphenyl)-4-pyrimidinyl]amino}methyl)-1-piperidinyl]-2-propen-1-on [German] [ACD/IUPAC Name]
1-[4-({[6-Amino-5-(4-phenoxyphenyl)-4-pyrimidinyl]amino}methyl)-1-piperidinyl]-2-propen-1-one [ACD/IUPAC Name]
1-[4-({[6-Amino-5-(4-phénoxyphényl)-4-pyrimidinyl]amino}méthyl)-1-pipéridinyl]-2-propén-1-one [French] [ACD/IUPAC Name]
10394
1415823-73-2 [RN]
2-Propen-1-one, 1-[4-[[[6-amino-5-(4-phenoxyphenyl)-4-pyrimidinyl]amino]methyl]-1-piperidinyl]- [ACD/Index Name]
evobrutinib [INN]
evobrutinib [Spanish] [INN]
évobrutinib [French] [INN]
evobrutinibum [Latin] [INN]
More...

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

Density: 1.2±0.1 g/cm3
Boiling Point: 683.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 367.1±31.5 °C
Index of Refraction: 1.637
Molar Refractivity: 125.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 153.66
ACD/KOC (pH 5.5): 1052.64
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 300.86
ACD/KOC (pH 7.4): 2061.11
Polar Surface Area: 93 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 349.9±3.0 cm3

Click to predict properties on the Chemicalize site


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