ChemSpider 2D Image | methyl (5Z)-4-{3-[N'-cyano-N''-(2-{[1-(2-methoxyphenyl)piperidin-4-yl]amino}ethyl)carbamimidamido]phenyl}-5-[hydroxy(methoxy)methylidene]-2,6-dimethyl-4,5-dihydropyridine-3-carboxylate | C33H41N7O5

methyl (5Z)-4-{3-[N'-cyano-N''-(2-{[1-(2-methoxyphenyl)piperidin-4-yl]amino}ethyl)carbamimidamido]phenyl}-5-[hydroxy(methoxy)methylidene]-2,6-dimethyl-4,5-dihydropyridine-3-carboxylate

  • Molecular FormulaC33H41N7O5
  • Average mass615.722 Da
  • Monoisotopic mass615.316895 Da
  • ChemSpider ID23252757

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z)-4-[3-({(Cyanoamino)[(2-{[1-(2-méthoxyphényl)-4-pipéridinyl]amino}éthyl)amino]méthylène}amino)phényl]-5-[hydroxy(méthoxy)méthylène]-2,6-diméthyl-4,5-dihydro-3-pyridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 4-[3-[[(Z)-(cyanoamino)[[2-[[1-(2-methoxyphenyl)-4-piperidinyl]amino]ethyl]imino]methyl]amino]phenyl]-4,5-dihydro-5-(hydroxymethoxymethylene)-2,6-dimethyl-, methyl ester, (5 Z)- [ACD/Index Name]
3-pyridinecarboxylic acid, 4-[3-[[(Z)-(cyanoamino)[[2-[[1-(2-methoxyphenyl)-4-piperidinyl]amino]ethyl]imino]methyl]amino]phenyl]-4,5-dihydro-5-(hydroxymethoxymethylene)-2,6-dimethyl-, methyl ester, (5Z)-
Methyl (5Z)-4-[3-({(cyanoamino)[(2-{[1-(2-methoxyphenyl)-4-piperidinyl]amino}ethyl)amino]methylene}amino)phenyl]-5-[hydroxy(methoxy)methylene]-2,6-dimethyl-4,5-dihydro-3-pyridinecarboxylate [ACD/IUPAC Name]
methyl (5Z)-4-{3-[N'-cyano-N''-(2-{[1-(2-methoxyphenyl)piperidin-4-yl]amino}ethyl)carbamimidamido]phenyl}-5-[hydroxy(methoxy)methylidene]-2,6-dimethyl-4,5-dihydropyridine-3-carboxylate
Methyl-(5Z)-4-[3-({(cyanamino)[(2-{[1-(2-methoxyphenyl)-4-piperidinyl]amino}ethyl)amino]methylen}amino)phenyl]-5-[hydroxy(methoxy)methylen]-2,6-dimethyl-4,5-dihydro-3-pyridincarboxylat [German] [ACD/IUPAC Name]
methyl (5Z)-4-{3-[1-cyano-2-(2-{[1-(2-methoxyphenyl)piperidin-4-yl]amino}ethyl)carbamimidamido]phenyl}-5-[hydroxy(methoxy)methylidene]-2,6-dimethyl-4,5-dihydropyridine-3-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 736.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.8±3.0 kJ/mol
Flash Point: 399.4±35.7 °C
Index of Refraction: 1.614
Molar Refractivity: 170.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.52
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 30.22
ACD/KOC (pH 7.4): 219.25
Polar Surface Area: 153 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 46.9±7.0 dyne/cm
Molar Volume: 489.4±7.0 cm3

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