ChemSpider 2D Image | 4-[3-Amino-6-(3-Ethylthiophen-2-Yl)pyrazin-2-Yl]cyclohexane-1-Carboxylic Acid | C17H21N3O2S

4-[3-Amino-6-(3-Ethylthiophen-2-Yl)pyrazin-2-Yl]cyclohexane-1-Carboxylic Acid

  • Molecular FormulaC17H21N3O2S
  • Average mass331.432 Da
  • Monoisotopic mass331.135437 Da
  • ChemSpider ID26329365

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-[3-Amino-6-(3-Ethylthiophen-2-Yl)pyrazin-2-Yl]cyclohexane-1-Carboxylic Acid
Acide trans-4-[3-amino-6-(3-éthyl-2-thiényl)-2-pyrazinyl]cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-[3-amino-6-(3-ethyl-2-thienyl)-2-pyrazinyl]-, trans- [ACD/Index Name]
trans-4-[3-Amino-6-(3-ethyl-2-thienyl)-2-pyrazinyl]cyclohexancarbonsäure [German] [ACD/IUPAC Name]
trans-4-[3-Amino-6-(3-ethyl-2-thienyl)-2-pyrazinyl]cyclohexanecarboxylic acid [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 530.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 274.4±30.1 °C
Index of Refraction: 1.621
Molar Refractivity: 91.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 36.72
ACD/KOC (pH 5.5): 234.44
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.70
Polar Surface Area: 117 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 61.9±3.0 dyne/cm
Molar Volume: 259.2±3.0 cm3

Click to predict properties on the Chemicalize site


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