ChemSpider 2D Image | Ethyl 4-({4-acetyl-6-[(3,5-dimethylphenoxy)methyl]-6-hydroxy-1,4-diazepan-1-yl}methyl)-4-hydroxy-1-piperidinecarboxylate | C25H39N3O6

Ethyl 4-({4-acetyl-6-[(3,5-dimethylphenoxy)methyl]-6-hydroxy-1,4-diazepan-1-yl}methyl)-4-hydroxy-1-piperidinecarboxylate

  • Molecular FormulaC25H39N3O6
  • Average mass477.594 Da
  • Monoisotopic mass477.283875 Da
  • ChemSpider ID68644179

More details:

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

1-Piperidinecarboxylic acid, 4-[[4-acetyl-6-[(3,5-dimethylphenoxy)methyl]hexahydro-6-hydroxy-1H-1,4-diazepin-1-yl]methyl]-4-hydroxy-, ethyl ester [ACD/Index Name]
4-({4-Acétyl-6-[(3,5-diméthylphénoxy)méthyl]-6-hydroxy-1,4-diazépan-1-yl}méthyl)-4-hydroxy-1-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-({4-acetyl-6-[(3,5-dimethylphenoxy)methyl]-6-hydroxy-1,4-diazepan-1-yl}methyl)-4-hydroxy-1-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-({4-acetyl-6-[(3,5-dimethylphenoxy)methyl]-6-hydroxy-1,4-diazepan-1-yl}methyl)-4-hydroxy-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: 656.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 351.1±31.5 °C
Index of Refraction: 1.560
Molar Refractivity: 127.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 1.76
ACD/KOC (pH 5.5): 25.09
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 20.08
ACD/KOC (pH 7.4): 285.96
Polar Surface Area: 103 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 395.7±3.0 cm3

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