ChemSpider 2D Image | 1-Benzyl-4-({2-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoyl}amino)piperidinium | C27H33N2O4

1-Benzyl-4-({2-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoyl}amino)piperidinium

  • Molecular FormulaC27H33N2O4
  • Average mass449.561 Da
  • Monoisotopic mass449.243469 Da
  • ChemSpider ID24810587

  • Charge - Charge

More details:

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

1-Benzyl-4-({2-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoyl}amino)piperidinium [ACD/IUPAC Name]
1-Benzyl-4-({2-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoyl}amino)piperidinium [German] [ACD/IUPAC Name]
1-Benzyl-4-({2-[(3,4,7-triméthyl-2-oxo-2H-chromén-5-yl)oxy]propanoyl}amino)pipéridinium [French] [ACD/IUPAC Name]
Propanamide, N-[1-(phenylmethyl)-4-piperidinyl]-2-[(3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl)oxy]-, conjugate monoacid [ACD/Index Name]
ZINC09510596

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

Density:
Boiling Point: 670.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 359.0±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 12.29
ACD/KOC (pH 5.5): 47.17
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 615.55
ACD/KOC (pH 7.4): 2362.70
Polar Surface Area: 69 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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