ChemSpider 2D Image | 1-(6-Hydroxy-6-[(4-methylphenoxy)methyl]-4-{4-[2-(1-pyrrolidinyl)ethoxy]benzyl}-1,4-diazepan-1-yl)-2-methoxyethanone | C29H41N3O5

1-(6-Hydroxy-6-[(4-methylphenoxy)methyl]-4-{4-[2-(1-pyrrolidinyl)ethoxy]benzyl}-1,4-diazepan-1-yl)-2-methoxyethanone

  • Molecular FormulaC29H41N3O5
  • Average mass511.653 Da
  • Monoisotopic mass511.304626 Da
  • ChemSpider ID68375485

More details:

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

1-(6-Hydroxy-6-[(4-methylphenoxy)methyl]-4-{4-[2-(1-pyrrolidinyl)ethoxy]benzyl}-1,4-diazepan-1-yl)-2-methoxyethanon [German] [ACD/IUPAC Name]
1-(6-Hydroxy-6-[(4-methylphenoxy)methyl]-4-{4-[2-(1-pyrrolidinyl)ethoxy]benzyl}-1,4-diazepan-1-yl)-2-methoxyethanone [ACD/IUPAC Name]
1-(6-Hydroxy-6-[(4-méthylphénoxy)méthyl]-4-{4-[2-(1-pyrrolidinyl)éthoxy]benzyl}-1,4-diazépan-1-yl)-2-méthoxyéthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[hexahydro-6-hydroxy-6-[(4-methylphenoxy)methyl]-4-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methyl]-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: 671.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.7±3.0 kJ/mol
Flash Point: 360.1±31.5 °C
Index of Refraction: 1.572
Molar Refractivity: 143.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.30
ACD/LogD (pH 5.5): -0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.77
Polar Surface Area: 75 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 436.2±3.0 cm3

Click to predict properties on the Chemicalize site


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