ChemSpider 2D Image | 5-(1-Azepanylcarbonyl)-N-(2,3-dimethoxybenzyl)-1-isobutyl-4-oxo-1,4-dihydro-3-pyridinecarboxamide | C26H35N3O5

5-(1-Azepanylcarbonyl)-N-(2,3-dimethoxybenzyl)-1-isobutyl-4-oxo-1,4-dihydro-3-pyridinecarboxamide

  • Molecular FormulaC26H35N3O5
  • Average mass469.573 Da
  • Monoisotopic mass469.257660 Da
  • ChemSpider ID22223396

More details:

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

3-Pyridinecarboxamide, N-[(2,3-dimethoxyphenyl)methyl]-5-[(hexahydro-1H-azepin-1-yl)carbonyl]-1,4-dihydro-1-(2-methylpropyl)-4-oxo- [ACD/Index Name]
5-(1-Azepanylcarbonyl)-N-(2,3-dimethoxybenzyl)-1-isobutyl-4-oxo-1,4-dihydro-3-pyridincarboxamid [German] [ACD/IUPAC Name]
5-(1-Azepanylcarbonyl)-N-(2,3-dimethoxybenzyl)-1-isobutyl-4-oxo-1,4-dihydro-3-pyridinecarboxamide [ACD/IUPAC Name]
5-(1-Azépanylcarbonyl)-N-(2,3-diméthoxybenzyl)-1-isobutyl-4-oxo-1,4-dihydro-3-pyridinecarboxamide [French] [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: 677.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 363.8±31.5 °C
Index of Refraction: 1.560
Molar Refractivity: 129.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 14.26
ACD/KOC (pH 5.5): 233.15
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 14.25
ACD/KOC (pH 7.4): 233.09
Polar Surface Area: 88 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 398.9±3.0 cm3

Click to predict properties on the Chemicalize site


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