ChemSpider 2D Image | 3-[(4-Chloro-2-{[(5-cyano-2-pyrazinyl)carbamoyl]amino}-5-methylphenoxy)methyl]cyclopentanecarboxylic acid | C20H20ClN5O4

3-[(4-Chloro-2-{[(5-cyano-2-pyrazinyl)carbamoyl]amino}-5-methylphenoxy)methyl]cyclopentanecarboxylic acid

  • Molecular FormulaC20H20ClN5O4
  • Average mass429.857 Da
  • Monoisotopic mass429.120392 Da
  • ChemSpider ID24808521

More details:

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

3-[(4-Chlor-2-{[(5-cyan-2-pyrazinyl)carbamoyl]amino}-5-methylphenoxy)methyl]cyclopentancarbonsäure [German] [ACD/IUPAC Name]
3-[(4-Chloro-2-{[(5-cyano-2-pyrazinyl)carbamoyl]amino}-5-methylphenoxy)methyl]cyclopentanecarboxylic acid [ACD/IUPAC Name]
Acide 3-[(4-chloro-2-{[(5-cyano-2-pyrazinyl)carbamoyl]amino}-5-méthylphénoxy)méthyl]cyclopentanecarboxylique [French] [ACD/IUPAC Name]
Cyclopentanecarboxylic acid, 3-[[4-chloro-2-[[[(5-cyano-2-pyrazinyl)amino]carbonyl]amino]-5-methylphenoxy]methyl]- [ACD/Index Name]
Kinome_2925

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 583.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 306.8±30.1 °C
Index of Refraction: 1.638
Molar Refractivity: 106.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 22.33
ACD/KOC (pH 5.5): 178.46
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.79
Polar Surface Area: 137 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 77.3±5.0 dyne/cm
Molar Volume: 297.1±5.0 cm3

Click to predict properties on the Chemicalize site


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