ChemSpider 2D Image | 1-(Phenoxyacetyl)-N-(3,4,5-trimethoxybenzyl)-1,2,3,4,5,6,7,8,9,10-decahydro-1,9-benzodiazacyclododecine-12-carboxamide | C33H41N3O6

1-(Phenoxyacetyl)-N-(3,4,5-trimethoxybenzyl)-1,2,3,4,5,6,7,8,9,10-decahydro-1,9-benzodiazacyclododecine-12-carboxamide

  • Molecular FormulaC33H41N3O6
  • Average mass575.695 Da
  • Monoisotopic mass575.299561 Da
  • ChemSpider ID80810479

More details:

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

1-(2-Phénoxyacétyl)-N-(3,4,5-triméthoxybenzyl)-1,2,3,4,5,6,7,8,9,10-décahydro-1,9-benzodiazacyclododécine-12-carboxamide [French] [ACD/IUPAC Name]
1-(Phenoxyacetyl)-N-(3,4,5-trimethoxybenzyl)-1,2,3,4,5,6,7,8,9,10-decahydro-1,9-benzodiazacyclododecin-12-carboxamid [German] [ACD/IUPAC Name]
1-(Phenoxyacetyl)-N-(3,4,5-trimethoxybenzyl)-1,2,3,4,5,6,7,8,9,10-decahydro-1,9-benzodiazacyclododecine-12-carboxamide [ACD/IUPAC Name]
1,9-Benzodiazacyclododecine-12-carboxamide, 1,2,3,4,5,6,7,8,9,10-decahydro-1-(2-phenoxyacetyl)-N-[(3,4,5-trimethoxyphenyl)methyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 789.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 114.8±3.0 kJ/mol
Flash Point: 431.0±32.9 °C
Index of Refraction: 1.558
Molar Refractivity: 162.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.65
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 5.41
ACD/KOC (pH 7.4): 28.10
Polar Surface Area: 98 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 502.5±3.0 cm3

Click to predict properties on the Chemicalize site


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