ChemSpider 2D Image | Dimethyl 1-(3-{N'-cyano-N''-[3-(4-phenyl-1-piperidinyl)propyl]carbamimidamido}phenyl)-3,5-dimethyl-1,4-dihydro-2,6-pyrazinedicarboxylate | C32H39N7O4

Dimethyl 1-(3-{N'-cyano-N''-[3-(4-phenyl-1-piperidinyl)propyl]carbamimidamido}phenyl)-3,5-dimethyl-1,4-dihydro-2,6-pyrazinedicarboxylate

  • Molecular FormulaC32H39N7O4
  • Average mass585.697 Da
  • Monoisotopic mass585.306335 Da
  • ChemSpider ID7984255

More details:

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

1-(3-{N'-Cyano-N''-[3-(4-phényl-1-pipéridinyl)propyl]carbamimidamido}phényl)-3,5-diméthyl-1,4-dihydro-2,6-pyrazinedicarboxylate de diméthyle [French] [ACD/IUPAC Name]
2,6-Pyrazinedicarboxylic acid, 1-[3-[[(Z)-(cyanoamino)[[3-(4-phenyl-1-piperidinyl)propyl]imino]methyl]amino]phenyl]-1,4-dihydro-3,5-dimethyl-, dimethyl ester [ACD/Index Name]
Dimethyl 1-(3-{N'-cyano-N''-[3-(4-phenyl-1-piperidinyl)propyl]carbamimidamido}phenyl)-3,5-dimethyl-1,4-dihydro-2,6-pyrazinedicarboxylate [ACD/IUPAC Name]
Dimethyl-1-(3-{N'-cyan-N''-[3-(4-phenyl-1-piperidinyl)propyl]carbamimidamido}phenyl)-3,5-dimethyl-1,4-dihydro-2,6-pyrazindicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 696.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 375.2±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: 14
#Rule of 5 Violations: 2
ACD/LogP: 1.61
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 1.31
ACD/KOC (pH 7.4): 16.01
Polar Surface Area: 131 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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