ChemSpider 2D Image | 1-{3-[5-({4-Acetyl-6-hydroxy-6-[(4-methylphenoxy)methyl]-1,4-diazepan-1-yl}methyl)-2-methoxyphenoxy]propyl}-2-azepanone | C32H45N3O6

1-{3-[5-({4-Acetyl-6-hydroxy-6-[(4-methylphenoxy)methyl]-1,4-diazepan-1-yl}methyl)-2-methoxyphenoxy]propyl}-2-azepanone

  • Molecular FormulaC32H45N3O6
  • Average mass567.716 Da
  • Monoisotopic mass567.330811 Da
  • ChemSpider ID68424706

More details:

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

1-{3-[5-({4-Acetyl-6-hydroxy-6-[(4-methylphenoxy)methyl]-1,4-diazepan-1-yl}methyl)-2-methoxyphenoxy]propyl}-2-azepanon [German] [ACD/IUPAC Name]
1-{3-[5-({4-Acetyl-6-hydroxy-6-[(4-methylphenoxy)methyl]-1,4-diazepan-1-yl}methyl)-2-methoxyphenoxy]propyl}-2-azepanone [ACD/IUPAC Name]
1-{3-[5-({4-Acétyl-6-hydroxy-6-[(4-méthylphénoxy)méthyl]-1,4-diazépan-1-yl}méthyl)-2-méthoxyphénoxy]propyl}-2-azépanone [French] [ACD/IUPAC Name]
2H-Azepin-2-one, 1-[3-[5-[[4-acetylhexahydro-6-hydroxy-6-[(4-methylphenoxy)methyl]-1H-1,4-diazepin-1-yl]methyl]-2-methoxyphenoxy]propyl]hexahydro- [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: 758.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.9±3.0 kJ/mol
Flash Point: 412.3±32.9 °C
Index of Refraction: 1.563
Molar Refractivity: 157.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 49.96
ACD/KOC (pH 5.5): 433.63
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 129.76
ACD/KOC (pH 7.4): 1126.31
Polar Surface Area: 92 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 485.8±3.0 cm3

Click to predict properties on the Chemicalize site


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