ChemSpider 2D Image | 4-({[(5-Acetyl-2,4-dimethyl-1H-pyrrol-3-yl)carbonyl](tetrahydro-2-furanylmethyl)amino}methyl)-1-(2-methoxyethyl)piperidinium | C23H38N3O4

4-({[(5-Acetyl-2,4-dimethyl-1H-pyrrol-3-yl)carbonyl](tetrahydro-2-furanylmethyl)amino}methyl)-1-(2-methoxyethyl)piperidinium

  • Molecular FormulaC23H38N3O4
  • Average mass420.565 Da
  • Monoisotopic mass420.285675 Da
  • ChemSpider ID24809678

  • Charge - Charge

More details:

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

1H-Pyrrole-3-carboxamide, 5-acetyl-N-[[1-(2-methoxyethyl)-4-piperidinyl]methyl]-2,4-dimethyl-N-[(tetrahydro-2-furanyl)methyl]-, conjugate monoacid [ACD/Index Name]
4-({[(5-Acetyl-2,4-dimethyl-1H-pyrrol-3-yl)carbonyl](tetrahydro-2-furanylmethyl)amino}methyl)-1-(2-methoxyethyl)piperidinium [ACD/IUPAC Name]
4-({[(5-Acetyl-2,4-dimethyl-1H-pyrrol-3-yl)carbonyl](tetrahydro-2-furanylmethyl)amino}methyl)-1-(2-methoxyethyl)piperidinium [German] [ACD/IUPAC Name]
4-({[(5-Acétyl-2,4-diméthyl-1H-pyrrol-3-yl)carbonyl](tétrahydro-2-furanylméthyl)amino}méthyl)-1-(2-méthoxyéthyl)pipéridinium [French] [ACD/IUPAC Name]
ZINC12386292

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

Density:
Boiling Point: 617.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 327.0±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.91
ACD/LogD (pH 5.5): -0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 1.78
ACD/KOC (pH 7.4): 26.88
Polar Surface Area: 76 Å2
Polarizability:
Surface Tension:
Molar Volume:

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