ChemSpider 2D Image | methyl (6E)-1-(3-{N''-[3-(4-tert-butylpiperidin-1-yl)propyl]-N'-cyanocarbamimidamido}phenyl)-6-[hydroxy(methoxy)methylidene]-3,5-dimethyl-1,6-dihydropyrazine-2-carboxylate | C30H43N7O4

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

  • Molecular FormulaC30H43N7O4
  • Average mass565.707 Da
  • Monoisotopic mass565.337646 Da
  • ChemSpider ID23198529

  • 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-(2-méthyl-2-propanyl)-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-(1,1-dimethylethyl)-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-(2-methyl-2-propanyl)-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''-[3-(4-tert-butylpiperidin-1-yl)propyl]-N'-cyanocarbamimidamido}phenyl)-6-[hydroxy(methoxy)methylidene]-3,5-dimethyl-1,6-dihydropyrazine-2-carboxylate
Methyl-(6E)-1-(3-{[(cyanamino)({3-[4-(2-methyl-2-propanyl)-1-piperidinyl]propyl}amino)methylen]amino}phenyl)-6-[hydroxy(methoxy)methylen]-3,5-dimethyl-1,6-dihydro-2-pyrazincarboxylat [German] [ACD/IUPAC Name]
dimethyl1-{3-[3-[4-(tert-butyl)hexahydro-1-pyridinyl]propylamino(nitrileimino)methylamino]phenyl}-3,5-dimethyl-1,4-dihydro-2,6-pyrazinedicarboxylate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL432237/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 634.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 337.7±34.3 °C
Index of Refraction: 1.587
Molar Refractivity: 158.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.15
ACD/LogD (pH 5.5): -0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.77
Polar Surface Area: 135 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 43.4±7.0 dyne/cm
Molar Volume: 473.2±7.0 cm3

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