ChemSpider 2D Image | 5-{[(1R,2S)-2-Aminocyclohexyl]amino}-3-[(3,5-dimethoxyphenyl)amino]-2-pyrazinecarboxamide | C19H26N6O3

5-{[(1R,2S)-2-Aminocyclohexyl]amino}-3-[(3,5-dimethoxyphenyl)amino]-2-pyrazinecarboxamide

  • Molecular FormulaC19H26N6O3
  • Average mass386.448 Da
  • Monoisotopic mass386.206635 Da
  • ChemSpider ID25061092

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Pyrazinecarboxamide, 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(3,5-dimethoxyphenyl)amino]- [ACD/Index Name]
5-{[(1R,2S)-2-Aminocyclohexyl]amino}-3-[(3,5-dimethoxyphenyl)amino]-2-pyrazincarboxamid [German] [ACD/IUPAC Name]
5-{[(1R,2S)-2-Aminocyclohexyl]amino}-3-[(3,5-dimethoxyphenyl)amino]-2-pyrazinecarboxamide [ACD/IUPAC Name]
5-{[(1R,2S)-2-Aminocyclohexyl]amino}-3-[(3,5-diméthoxyphényl)amino]-2-pyrazinecarboxamide [French] [ACD/IUPAC Name]
5-{[(1R,2S)-2-aminocyclohexyl]amino}-3-[(3,5-dimethoxyphenyl)amino]pyrazine-2-carboxamide
KZI

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

Density: 1.3±0.1 g/cm3
Boiling Point: 585.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 307.7±30.1 °C
Index of Refraction: 1.647
Molar Refractivity: 108.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.51
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 1.45
ACD/KOC (pH 7.4): 15.49
Polar Surface Area: 137 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 60.9±3.0 dyne/cm
Molar Volume: 298.2±3.0 cm3

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