ChemSpider 2D Image | Cis-4-[3-Amino-6-(3-Cyclopropylthiophen-2-Yl)pyrazin-2-Yl]cyclohexanecarboxylic Acid | C18H21N3O2S

Cis-4-[3-Amino-6-(3-Cyclopropylthiophen-2-Yl)pyrazin-2-Yl]cyclohexanecarboxylic Acid

  • Molecular FormulaC18H21N3O2S
  • Average mass343.443 Da
  • Monoisotopic mass343.135437 Da
  • ChemSpider ID26326760

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Cis-4-[3-Amino-6-(3-Cyclopropylthiophen-2-Yl)pyrazin-2-Yl]cyclohexanecarboxylic Acid
Acide cis-4-[3-amino-6-(3-cyclopropyl-2-thiényl)-2-pyrazinyl]cyclohexanecarboxylique [French] [ACD/IUPAC Name]
cis-4-[3-Amino-6-(3-cyclopropyl-2-thienyl)-2-pyrazinyl]cyclohexancarbonsäure [German] [ACD/IUPAC Name]
cis-4-[3-Amino-6-(3-cyclopropyl-2-thienyl)-2-pyrazinyl]cyclohexanecarboxylic acid [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-[3-amino-6-(3-cyclopropyl-2-thienyl)-2-pyrazinyl]-, cis- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 539.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 280.2±30.1 °C
Index of Refraction: 1.658
Molar Refractivity: 93.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 36.60
ACD/KOC (pH 5.5): 233.85
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.69
Polar Surface Area: 117 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 69.9±3.0 dyne/cm
Molar Volume: 254.4±3.0 cm3

Click to predict properties on the Chemicalize site


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