ChemSpider 2D Image | 3-Chloro-8-[2,5-dimethoxy-4-(4-morpholinyl)benzyl]-8,9,10,11,12,13-hexahydro-5H-dibenzo[b,e][1,4,7,10]dioxadiazacyclopentadecin-6(7H)-one | C32H38ClN3O6

3-Chloro-8-[2,5-dimethoxy-4-(4-morpholinyl)benzyl]-8,9,10,11,12,13-hexahydro-5H-dibenzo[b,e][1,4,7,10]dioxadiazacyclopentadecin-6(7H)-one

  • Molecular FormulaC32H38ClN3O6
  • Average mass596.114 Da
  • Monoisotopic mass595.244934 Da
  • ChemSpider ID80808955

More details:

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

3-Chlor-8-[2,5-dimethoxy-4-(4-morpholinyl)benzyl]-8,9,10,11,12,13-hexahydro-5H-dibenzo[b,e][1,4,7,10]dioxadiazacyclopentadecin-6(7H)-on [German] [ACD/IUPAC Name]
3-Chloro-8-[2,5-dimethoxy-4-(4-morpholinyl)benzyl]-8,9,10,11,12,13-hexahydro-5H-dibenzo[b,e][1,4,7,10]dioxadiazacyclopentadecin-6(7H)-one [ACD/IUPAC Name]
3-Chloro-8-[2,5-diméthoxy-4-(4-morpholinyl)benzyl]-8,9,10,11,12,13-hexahydro-5H-dibenzo[b,e][1,4,7,10]dioxadiazacyclopentadécin-6(7H)-one [French] [ACD/IUPAC Name]
5H-Dibenzo[b,e][1,4,7,10]dioxadiazacyclopentadecin-6(7H)-one, 3-chloro-8-[[2,5-dimethoxy-4-(4-morpholinyl)phenyl]methyl]-8,9,10,11,12,13-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: 766.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.6±3.0 kJ/mol
Flash Point: 417.3±32.9 °C
Index of Refraction: 1.567
Molar Refractivity: 160.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 335.54
ACD/KOC (pH 5.5): 1440.27
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1516.85
ACD/KOC (pH 7.4): 6511.01
Polar Surface Area: 82 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 493.0±3.0 cm3

Click to predict properties on the Chemicalize site


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