ChemSpider 2D Image | 3-Chloro-8-[2,5-dimethoxy-4-(4-morpholinyl)benzyl]-7,8,9,10,11,12,13,14-octahydrodibenzo[b,e][1,4,7,10]dioxadiazacyclohexadecin-6(5H)-one | C33H40ClN3O6

3-Chloro-8-[2,5-dimethoxy-4-(4-morpholinyl)benzyl]-7,8,9,10,11,12,13,14-octahydrodibenzo[b,e][1,4,7,10]dioxadiazacyclohexadecin-6(5H)-one

  • Molecular FormulaC33H40ClN3O6
  • Average mass610.140 Da
  • Monoisotopic mass609.260559 Da
  • ChemSpider ID77206203

More details:

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

3-Chlor-8-[2,5-dimethoxy-4-(4-morpholinyl)benzyl]-7,8,9,10,11,12,13,14-octahydrodibenzo[b,e][1,4,7,10]dioxadiazacyclohexadecin-6(5H)-on [German] [ACD/IUPAC Name]
3-Chloro-8-[2,5-dimethoxy-4-(4-morpholinyl)benzyl]-7,8,9,10,11,12,13,14-octahydrodibenzo[b,e][1,4,7,10]dioxadiazacyclohexadecin-6(5H)-one [ACD/IUPAC Name]
3-Chloro-8-[2,5-diméthoxy-4-(4-morpholinyl)benzyl]-7,8,9,10,11,12,13,14-octahydrodibenzo[b,e][1,4,7,10]dioxadiazacyclohexadécin-6(5H)-one [French] [ACD/IUPAC Name]
Dibenzo[b,e][1,4,7,10]dioxadiazacyclohexadecin-6(5H)-one, 3-chloro-8-[[2,5-dimethoxy-4-(4-morpholinyl)phenyl]methyl]-7,8,9,10,11,12,13,14-octahydro- [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: 774.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.7±3.0 kJ/mol
Flash Point: 422.3±32.9 °C
Index of Refraction: 1.562
Molar Refractivity: 165.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 618.28
ACD/KOC (pH 5.5): 2199.54
ACD/LogD (pH 7.4): 4.87
ACD/BCF (pH 7.4): 2930.13
ACD/KOC (pH 7.4): 10424.00
Polar Surface Area: 82 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 510.7±3.0 cm3

Click to predict properties on the Chemicalize site


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