Found 589 results

Search term: MF = 'C_{20}H_{27}BrN_{2}O_{2}'
ChemSpider 2D Image | (5s,7s)-2-(5-Bromo-2-ethoxyphenyl)-5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one | C20H27BrN2O2

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

  • Molecular FormulaC20H27BrN2O2
  • Average mass407.345 Da
  • Monoisotopic mass406.125580 Da
  • ChemSpider ID21527043

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 476.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.0±3.0 kJ/mol
Flash Point: 241.8±28.7 °C
Index of Refraction: 1.620
Molar Refractivity: 102.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.10
ACD/LogD (pH 5.5): 4.12
ACD/BCF (pH 5.5): 747.46
ACD/KOC (pH 5.5): 3662.14
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 986.71
ACD/KOC (pH 7.4): 4834.32
Polar Surface Area: 33 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 292.6±5.0 cm3

Click to predict properties on the Chemicalize site


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