ChemSpider 2D Image | 1-(4-{4-[2-(Diisopropylamino)ethoxy]benzyl}-6-hydroxy-6-[(4-methylphenoxy)methyl]-1,4-diazepan-1-yl)ethanone | C30H45N3O4

1-(4-{4-[2-(Diisopropylamino)ethoxy]benzyl}-6-hydroxy-6-[(4-methylphenoxy)methyl]-1,4-diazepan-1-yl)ethanone

  • Molecular FormulaC30H45N3O4
  • Average mass511.696 Da
  • Monoisotopic mass511.341003 Da
  • ChemSpider ID68377298

More details:

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

1-(4-{4-[2-(Diisopropylamino)ethoxy]benzyl}-6-hydroxy-6-[(4-methylphenoxy)methyl]-1,4-diazepan-1-yl)ethanon [German] [ACD/IUPAC Name]
1-(4-{4-[2-(Diisopropylamino)ethoxy]benzyl}-6-hydroxy-6-[(4-methylphenoxy)methyl]-1,4-diazepan-1-yl)ethanone [ACD/IUPAC Name]
1-(4-{4-[2-(Diisopropylamino)éthoxy]benzyl}-6-hydroxy-6-[(4-méthylphénoxy)méthyl]-1,4-diazépan-1-yl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-[[4-[2-[bis(1-methylethyl)amino]ethoxy]phenyl]methyl]hexahydro-6-hydroxy-6-[(4-methylphenoxy)methyl]-1H-1,4-diazepin-1-yl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 645.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 344.4±31.5 °C
Index of Refraction: 1.553
Molar Refractivity: 148.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 2.13
ACD/KOC (pH 7.4): 12.55
Polar Surface Area: 65 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 464.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement