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

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

  • Molecular FormulaC32H39N7O4
  • Average mass585.697 Da
  • Monoisotopic mass585.306335 Da
  • ChemSpider ID23252804
  • 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-phényl-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-phenyl-4-piperidinyl)amino]ethyl]imino]methyl]amino]phenyl]-4,5-dihydro-5-(hydroxymethoxymethylene)-2,6-dimethyl-, methyl ester, (5Z)- [ACD/Index Name]
Methyl (5Z)-4-(3-{[(cyanoamino)({2-[(1-phenyl-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-phenylpiperidin-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-phenyl-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-phenylpiperidin-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

Density: 1.3±0.1 g/cm3
Boiling Point: 712.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 384.9±35.7 °C
Index of Refraction: 1.622
Molar Refractivity: 164.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.18
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 17.54
ACD/KOC (pH 7.4): 141.16
Polar Surface Area: 144 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 47.8±7.0 dyne/cm
Molar Volume: 467.8±7.0 cm3

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