ChemSpider 2D Image | Dimethyl 1-[3-(N''-cyano-N'-{3-[4-(2-methyl-2-propanyl)-1-piperidinyl]propyl}carbamimidamido)phenyl]-3,5-dimethyl-1,2-dihydro-2,6-pyrazinedicarboxylate | C30H43N7O4

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

  • Molecular FormulaC30H43N7O4
  • Average mass565.707 Da
  • Monoisotopic mass565.337646 Da
  • ChemSpider ID34973879

More details:

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

1-[3-(N''-Cyano-N'-{3-[4-(2-méthyl-2-propanyl)-1-pipéridinyl]propyl}carbamimidamido)phényl]-3,5-diméthyl-1,2-dihydro-2,6-pyrazinedicarboxylate de diméthyle [French] [ACD/IUPAC Name]
2,6-Pyrazinedicarboxylic acid, 1-[3-[[(E)-(cyanoimino)[[3-[4-(1,1-dimethylethyl)-1-piperidinyl]propyl]amino]methyl]amino]phenyl]-1,2-dihydro-3,5-dimethyl-, dimethyl ester [ACD/Index Name]
Dimethyl 1-[3-(N''-cyano-N'-{3-[4-(2-methyl-2-propanyl)-1-piperidinyl]propyl}carbamimidamido)phenyl]-3,5-dimethyl-1,2-dihydro-2,6-pyrazinedicarboxylate [ACD/IUPAC Name]
Dimethyl-1-[3-(N''-cyan-N'-{3-[4-(2-methyl-2-propanyl)-1-piperidinyl]propyl}carbamimidamido)phenyl]-3,5-dimethyl-1,2-dihydro-2,6-pyrazindicarboxylat [German] [ACD/IUPAC Name]
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: 650.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 347.1±34.3 °C
Index of Refraction: 1.587
Molar Refractivity: 158.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.04
ACD/LogD (pH 5.5): -0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 1.41
ACD/KOC (pH 7.4): 10.60
Polar Surface Area: 132 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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