ChemSpider 2D Image | 1-[3-(5-{[6-Hydroxy-4-(methoxyacetyl)-6-(phenoxymethyl)-1,4-diazepan-1-yl]methyl}-2-methoxyphenoxy)propyl]-2-azepanone | C32H45N3O7

1-[3-(5-{[6-Hydroxy-4-(methoxyacetyl)-6-(phenoxymethyl)-1,4-diazepan-1-yl]methyl}-2-methoxyphenoxy)propyl]-2-azepanone

  • Molecular FormulaC32H45N3O7
  • Average mass583.716 Da
  • Monoisotopic mass583.325745 Da
  • ChemSpider ID68374281

More details:

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

1-[3-(5-{[6-Hydroxy-4-(2-méthoxyacétyl)-6-(phénoxyméthyl)-1,4-diazépan-1-yl]méthyl}-2-méthoxyphénoxy)propyl]-2-azépanone [French] [ACD/IUPAC Name]
1-[3-(5-{[6-Hydroxy-4-(methoxyacetyl)-6-(phenoxymethyl)-1,4-diazepan-1-yl]methyl}-2-methoxyphenoxy)propyl]-2-azepanon [German] [ACD/IUPAC Name]
1-[3-(5-{[6-Hydroxy-4-(methoxyacetyl)-6-(phenoxymethyl)-1,4-diazepan-1-yl]methyl}-2-methoxyphenoxy)propyl]-2-azepanone [ACD/IUPAC Name]
2H-Azepin-2-one, 1-[3-[5-[[hexahydro-6-hydroxy-4-(2-methoxyacetyl)-6-(phenoxymethyl)-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: 761.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.3±3.0 kJ/mol
Flash Point: 414.3±32.9 °C
Index of Refraction: 1.561
Molar Refractivity: 159.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 22.04
ACD/KOC (pH 5.5): 240.62
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 57.88
ACD/KOC (pH 7.4): 631.88
Polar Surface Area: 101 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 492.4±3.0 cm3

Click to predict properties on the Chemicalize site


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