Found 47 results

Search term: MF = 'C_{23}H_{31}BrN_{2}O_{6}'
ChemSpider 2D Image | 3-Methylbutyl [(2S)-1-{3-bromo-4-[(2S)-tetrahydro-2-furanylmethoxy]benzoyl}-3-oxo-2-piperazinyl]acetate | C23H31BrN2O6

3-Methylbutyl [(2S)-1-{3-bromo-4-[(2S)-tetrahydro-2-furanylmethoxy]benzoyl}-3-oxo-2-piperazinyl]acetate

  • Molecular FormulaC23H31BrN2O6
  • Average mass511.406 Da
  • Monoisotopic mass510.136536 Da
  • ChemSpider ID62483467

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(2S)-1-{3-Bromo-4-[(2S)-tétrahydro-2-furanylméthoxy]benzoyl}-3-oxo-2-pipérazinyl]acétate de 3-méthylbutyle [French] [ACD/IUPAC Name]
2-Piperazineacetic acid, 1-[3-bromo-4-[[(2S)-tetrahydro-2-furanyl]methoxy]benzoyl]-3-oxo-, 3-methylbutyl ester, (2S)- [ACD/Index Name]
3-Methylbutyl [(2S)-1-{3-bromo-4-[(2S)-tetrahydro-2-furanylmethoxy]benzoyl}-3-oxo-2-piperazinyl]acetate [ACD/IUPAC Name]
3-Methylbutyl-[(2S)-1-{3-brom-4-[(2S)-tetrahydro-2-furanylmethoxy]benzoyl}-3-oxo-2-piperazinyl]acetat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 679.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 364.5±31.5 °C
Index of Refraction: 1.542
Molar Refractivity: 121.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.72
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 26.94
ACD/KOC (pH 5.5): 367.74
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 26.94
ACD/KOC (pH 7.4): 367.74
Polar Surface Area: 94 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 387.0±3.0 cm3

Click to predict properties on the Chemicalize site


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