ChemSpider 2D Image | 3-[(2-Chlorobenzyl)amino]-N-[(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-N-isobutyl-2-methylpropanamide | C25H32Cl2N2O3

3-[(2-Chlorobenzyl)amino]-N-[(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-N-isobutyl-2-methylpropanamide

  • Molecular FormulaC25H32Cl2N2O3
  • Average mass479.439 Da
  • Monoisotopic mass478.178986 Da
  • ChemSpider ID58894559

More details:

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

3-[(2-Chlorbenzyl)amino]-N-[(9-chlor-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-N-isobutyl-2-methylpropanamid [German] [ACD/IUPAC Name]
3-[(2-Chlorobenzyl)amino]-N-[(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-N-isobutyl-2-methylpropanamide [ACD/IUPAC Name]
3-[(2-Chlorobenzyl)amino]-N-[(9-chloro-3,4-dihydro-2H-1,5-benzodioxépin-7-yl)méthyl]-N-isobutyl-2-méthylpropanamide [French] [ACD/IUPAC Name]
Propanamide, N-[(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-3-[[(2-chlorophenyl)methyl]amino]-2-methyl-N-(2-methylpropyl)- [ACD/Index 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: 601.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 317.6±31.5 °C
Index of Refraction: 1.563
Molar Refractivity: 129.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 36.27
ACD/KOC (pH 5.5): 100.77
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 1828.74
ACD/KOC (pH 7.4): 5080.75
Polar Surface Area: 51 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 399.5±3.0 cm3

Click to predict properties on the Chemicalize site


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