ChemSpider 2D Image | 2-{4-[(3,4-Dichlorophenoxy)methyl]-4-hydroxy-1-azepanyl}-N-(2-methyl-1-phenyl-2-propanyl)acetamide | C25H32Cl2N2O3

2-{4-[(3,4-Dichlorophenoxy)methyl]-4-hydroxy-1-azepanyl}-N-(2-methyl-1-phenyl-2-propanyl)acetamide

  • Molecular FormulaC25H32Cl2N2O3
  • Average mass479.439 Da
  • Monoisotopic mass478.178986 Da
  • ChemSpider ID68392806

More details:

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

1H-Azepine-1-acetamide, 4-[(3,4-dichlorophenoxy)methyl]-N-(1,1-dimethyl-2-phenylethyl)hexahydro-4-hydroxy- [ACD/Index Name]
2-{4-[(3,4-Dichlorophenoxy)methyl]-4-hydroxy-1-azepanyl}-N-(2-methyl-1-phenyl-2-propanyl)acetamide [ACD/IUPAC Name]
2-{4-[(3,4-Dichlorophénoxy)méthyl]-4-hydroxy-1-azépanyl}-N-(2-méthyl-1-phényl-2-propanyl)acétamide [French] [ACD/IUPAC Name]
2-{4-[(3,4-Dichlorphenoxy)methyl]-4-hydroxy-1-azepanyl}-N-(2-methyl-1-phenyl-2-propanyl)acetamid [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: 654.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 349.7±31.5 °C
Index of Refraction: 1.570
Molar Refractivity: 129.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.38
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 541.67
ACD/KOC (pH 5.5): 1627.77
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 4953.52
ACD/KOC (pH 7.4): 14885.82
Polar Surface Area: 62 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 394.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement