ChemSpider 2D Image | (4-Benzyl-1-piperazinyl)[(2R,4R)-4-(4-bromophenyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-yl]methanone | C27H33BrN2O4

(4-Benzyl-1-piperazinyl)[(2R,4R)-4-(4-bromophenyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-yl]methanone

  • Molecular FormulaC27H33BrN2O4
  • Average mass529.466 Da
  • Monoisotopic mass528.162354 Da
  • ChemSpider ID17324620

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4-Benzyl-1-piperazinyl)[(2R,4R)-4-(4-bromophenyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-yl]methanone [ACD/IUPAC Name]
(4-Benzyl-1-pipérazinyl)[(2R,4R)-4-(4-bromophényl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-yl]méthanone [French] [ACD/IUPAC Name]
(4-Benzyl-1-piperazinyl)[(2R,4R)-4-(4-bromphenyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-yl]methanon [German] [ACD/IUPAC Name]
Methanone, [(2R,4R)-4-(4-bromophenyl)-3,4-dihydro-2-(4-hydroxybutoxy)-2H-pyran-6-yl][4-(phenylmethyl)-1-piperazinyl]- [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: 680.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.9±3.0 kJ/mol
Flash Point: 365.6±31.5 °C
Index of Refraction: 1.635
Molar Refractivity: 137.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 57.99
ACD/KOC (pH 5.5): 426.08
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 229.16
ACD/KOC (pH 7.4): 1683.66
Polar Surface Area: 62 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 60.1±5.0 dyne/cm
Molar Volume: 382.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement