ChemSpider 2D Image | 1-{4-[(1-Acetyl-4-hydroxy-4-piperidinyl)methyl]-6-[(3,4-dimethylphenoxy)methyl]-6-hydroxy-1,4-diazepan-1-yl}-2-methoxyethanone | C25H39N3O6

1-{4-[(1-Acetyl-4-hydroxy-4-piperidinyl)methyl]-6-[(3,4-dimethylphenoxy)methyl]-6-hydroxy-1,4-diazepan-1-yl}-2-methoxyethanone

  • Molecular FormulaC25H39N3O6
  • Average mass477.594 Da
  • Monoisotopic mass477.283875 Da
  • ChemSpider ID68373060

More details:

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

1-{4-[(1-Acetyl-4-hydroxy-4-piperidinyl)methyl]-6-[(3,4-dimethylphenoxy)methyl]-6-hydroxy-1,4-diazepan-1-yl}-2-methoxyethanon [German] [ACD/IUPAC Name]
1-{4-[(1-Acetyl-4-hydroxy-4-piperidinyl)methyl]-6-[(3,4-dimethylphenoxy)methyl]-6-hydroxy-1,4-diazepan-1-yl}-2-methoxyethanone [ACD/IUPAC Name]
1-{4-[(1-Acétyl-4-hydroxy-4-pipéridinyl)méthyl]-6-[(3,4-diméthylphénoxy)méthyl]-6-hydroxy-1,4-diazépan-1-yl}-2-méthoxyéthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-[(1-acetyl-4-hydroxy-4-piperidinyl)methyl]-6-[(3,4-dimethylphenoxy)methyl]hexahydro-6-hydroxy-1H-1,4-diazepin-1-yl]-2-methoxy- [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: 687.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 369.4±31.5 °C
Index of Refraction: 1.560
Molar Refractivity: 127.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.43
ACD/LogD (pH 5.5): 0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.65
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 3.79
ACD/KOC (pH 7.4): 87.25
Polar Surface Area: 103 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 395.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement