ChemSpider 2D Image | Ethyl 4-{6-[(3,5-dimethoxybenzyl)oxy]-4-isopropyl-3-oxo-1,4-diazepan-1-yl}-1-piperidinecarboxylate | C25H39N3O6

Ethyl 4-{6-[(3,5-dimethoxybenzyl)oxy]-4-isopropyl-3-oxo-1,4-diazepan-1-yl}-1-piperidinecarboxylate

  • Molecular FormulaC25H39N3O6
  • Average mass477.594 Da
  • Monoisotopic mass477.283875 Da
  • ChemSpider ID22231983

More details:

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

1-Piperidinecarboxylic acid, 4-[6-[(3,5-dimethoxyphenyl)methoxy]hexahydro-4-(1-methylethyl)-3-oxo-1H-1,4-diazepin-1-yl]-, ethyl ester [ACD/Index Name]
4-{6-[(3,5-Diméthoxybenzyl)oxy]-4-isopropyl-3-oxo-1,4-diazépan-1-yl}-1-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{6-[(3,5-dimethoxybenzyl)oxy]-4-isopropyl-3-oxo-1,4-diazepan-1-yl}-1-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{6-[(3,5-dimethoxybenzyl)oxy]-4-isopropyl-3-oxo-1,4-diazepan-1-yl}-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: 612.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 324.0±31.5 °C
Index of Refraction: 1.560
Molar Refractivity: 129.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 9.92
ACD/KOC (pH 5.5): 115.74
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 44.67
ACD/KOC (pH 7.4): 521.26
Polar Surface Area: 81 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 50.4±5.0 dyne/cm
Molar Volume: 400.5±5.0 cm3

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