ChemSpider 2D Image | [(3R)-3-Cyclohexyl-2,3-dihydro[1,4]oxazino[2,3,4-hi]indol-6-yl][(3R,5S)-4-(2-methoxyethyl)-3,5-dimethyl-1-piperazinyl]methanone | C26H37N3O3

[(3R)-3-Cyclohexyl-2,3-dihydro[1,4]oxazino[2,3,4-hi]indol-6-yl][(3R,5S)-4-(2-methoxyethyl)-3,5-dimethyl-1-piperazinyl]methanone

  • Molecular FormulaC26H37N3O3
  • Average mass439.590 Da
  • Monoisotopic mass439.283478 Da
  • ChemSpider ID25029157

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(3R)-3-Cyclohexyl-2,3-dihydro[1,4]oxazino[2,3,4-hi]indol-6-yl][(3R,5S)-4-(2-methoxyethyl)-3,5-dimethyl-1-piperazinyl]methanon [German] [ACD/IUPAC Name]
[(3R)-3-Cyclohexyl-2,3-dihydro[1,4]oxazino[2,3,4-hi]indol-6-yl][(3R,5S)-4-(2-methoxyethyl)-3,5-dimethyl-1-piperazinyl]methanone [ACD/IUPAC Name]
[(3R)-3-Cyclohexyl-2,3-dihydro[1,4]oxazino[2,3,4-hi]indol-6-yl][(3R,5S)-4-(2-méthoxyéthyl)-3,5-diméthyl-1-pipérazinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [(3R)-3-cyclohexyl-2,3-dihydro-1,4-oxazino[2,3,4-hi]indol-6-yl][(3R,5S)-4-(2-methoxyethyl)-3,5-dimethyl-1-piperazinyl]- [ACD/Index 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: 598.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 315.6±30.1 °C
Index of Refraction: 1.634
Molar Refractivity: 124.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 23.78
ACD/KOC (pH 5.5): 175.56
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 210.65
ACD/KOC (pH 7.4): 1554.87
Polar Surface Area: 47 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 46.2±7.0 dyne/cm
Molar Volume: 348.3±7.0 cm3

Click to predict properties on the Chemicalize site


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