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

(5s,7s)-2-(5-Bromo-2-hydroxyphenyl)-5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

  • Molecular FormulaC18H23BrN2O2
  • Average mass379.291 Da
  • Monoisotopic mass378.094269 Da
  • ChemSpider ID23718197

  • 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-hydroxyphenyl)-5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-on [German] [ACD/IUPAC Name]
(5s,7s)-2-(5-Bromo-2-hydroxyphenyl)-5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one [ACD/IUPAC Name]
(5s,7s)-2-(5-Bromo-2-hydroxyphényl)-5-méthyl-7-propyl-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-hydroxyphenyl)-5-methyl-7-propyl- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 432.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.4±3.0 kJ/mol
Flash Point: 215.1±28.7 °C
Index of Refraction: 1.664
Molar Refractivity: 93.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 328.95
ACD/KOC (pH 5.5): 2081.10
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 386.71
ACD/KOC (pH 7.4): 2446.52
Polar Surface Area: 44 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 63.8±5.0 dyne/cm
Molar Volume: 251.5±5.0 cm3

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