ChemSpider 2D Image | Ethyl 4-({N-[4-(4-chloro-3,5-dimethylphenoxy)butanoyl]norvalyl}amino)-1-piperidinecarboxylate | C25H38ClN3O5

Ethyl 4-({N-[4-(4-chloro-3,5-dimethylphenoxy)butanoyl]norvalyl}amino)-1-piperidinecarboxylate

  • Molecular FormulaC25H38ClN3O5
  • Average mass496.039 Da
  • Monoisotopic mass495.250000 Da
  • ChemSpider ID117584538

More details:

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

1-Piperidinecarboxylic acid, 4-[[2-[[4-(4-chloro-3,5-dimethylphenoxy)-1-oxobutyl]amino]-1-oxopentyl]amino]-, ethyl ester [ACD/Index Name]
4-({N-[4-(4-Chloro-3,5-diméthylphénoxy)butanoyl]norvalyl}amino)-1-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-({N-[4-(4-chloro-3,5-dimethylphenoxy)butanoyl]norvalyl}amino)-1-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-({N-[4-(4-chlor-3,5-dimethylphenoxy)butanoyl]norvalyl}amino)-1-piperidincarboxylat [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: 720.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 389.5±32.9 °C
Index of Refraction: 1.549
Molar Refractivity: 132.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 669.75
ACD/KOC (pH 5.5): 3667.65
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 669.75
ACD/KOC (pH 7.4): 3667.66
Polar Surface Area: 97 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 416.6±5.0 cm3

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