ChemSpider 2D Image | methyl (6E)-1-(3-{N'-cyano-N''-[3-(4-phenylpiperidin-1-yl)propyl]carbamimidamido}phenyl)-6-[hydroxy(methoxy)methylidene]-3,5-dimethyl-1,6-dihydropyrazine-2-carboxylate | C32H39N7O4

methyl (6E)-1-(3-{N'-cyano-N''-[3-(4-phenylpiperidin-1-yl)propyl]carbamimidamido}phenyl)-6-[hydroxy(methoxy)methylidene]-3,5-dimethyl-1,6-dihydropyrazine-2-carboxylate

  • Molecular FormulaC32H39N7O4
  • Average mass585.697 Da
  • Monoisotopic mass585.306335 Da
  • ChemSpider ID23198581

  • Double-bond stereo - Double-bond stereo

More details:

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

(6E)-1-(3-{[(Cyanoamino){[3-(4-phényl-1-pipéridinyl)propyl]amino}méthylène]amino}phényl)-6-[hydroxy(méthoxy)méthylène]-3,5-diméthyl-1,6-dihydro-2-pyrazinecarboxylate de méthyle [French] [ACD/IUPAC Name]
2-Pyrazinecarboxylic acid, 1-[3-[[(Z)-(cyanoamino)[[3-(4-phenyl-1-piperidinyl)propyl]imino]methyl]amino]phenyl]-1,6-dihydro-6-(hydroxymethoxymethylene)-3,5-dimethyl-, methyl ester, (6E)- [ACD/Index Name]
Methyl (6E)-1-(3-{[(cyanoamino){[3-(4-phenyl-1-piperidinyl)propyl]amino}methylene]amino}phenyl)-6-[hydroxy(methoxy)methylene]-3,5-dimethyl-1,6-dihydro-2-pyrazinecarboxylate [ACD/IUPAC Name]
methyl (6E)-1-(3-{N'-cyano-N''-[3-(4-phenylpiperidin-1-yl)propyl]carbamimidamido}phenyl)-6-[hydroxy(methoxy)methylidene]-3,5-dimethyl-1,6-dihydropyrazine-2-carboxylate
Methyl-(6E)-1-(3-{[(cyanamino){[3-(4-phenyl-1-piperidinyl)propyl]amino}methylen]amino}phenyl)-6-[hydroxy(methoxy)methylen]-3,5-dimethyl-1,6-dihydro-2-pyrazincarboxylat [German] [ACD/IUPAC Name]
dimethyl3,5-dimethyl-1-{3-nitrileimino[3-(4-phenylhexahydro-1-pyridinyl)propylamino]methylaminophenyl}-1,4-dihydro-2,6-pyrazinedicarboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 680.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.9±3.0 kJ/mol
Flash Point: 365.4±34.3 °C
Index of Refraction: 1.616
Molar Refractivity: 165.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 1.51
ACD/LogD (pH 5.5): -0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 1.18
ACD/KOC (pH 7.4): 13.28
Polar Surface Area: 135 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 47.6±7.0 dyne/cm
Molar Volume: 473.9±7.0 cm3

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