ChemSpider 2D Image | (5s,7s)-2-(5-Bromo-2-ethoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one | C18H23BrN2O2

(5s,7s)-2-(5-Bromo-2-ethoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

  • Molecular FormulaC18H23BrN2O2
  • Average mass379.291 Da
  • Monoisotopic mass378.094269 Da
  • ChemSpider ID23487651

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(5s,7s)-2-(5-Brom-2-ethoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-on [German] [ACD/IUPAC Name]
(5s,7s)-2-(5-Bromo-2-ethoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one [ACD/IUPAC Name]
(5s,7s)-2-(5-Bromo-2-éthoxyphényl)-5,7-diméthyl-1,3-diazatricyclo[3.3.1.13,7]décan-6-one [French] [ACD/IUPAC Name]
1,3-Diazatricyclo[3.3.1.13,7]decan-6-one, 2-(5-bromo-2-ethoxyphenyl)-5,7-dimethyl- [ACD/Index Name]
906790-11-2 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 452.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.1±3.0 kJ/mol
Flash Point: 227.2±28.7 °C
Index of Refraction: 1.638
Molar Refractivity: 93.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 256.20
ACD/KOC (pH 5.5): 1701.70
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 338.20
ACD/KOC (pH 7.4): 2246.38
Polar Surface Area: 33 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 260.2±5.0 cm3

Click to predict properties on the Chemicalize site


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