ChemSpider 2D Image | [(3R)-3-Cyclohexyl-2,3-dihydro[1,4]oxazino[2,3,4-hi]indol-6-yl][(3R,5S)-4-ethyl-3,5-dimethyl-1-piperazinyl]methanone | C25H35N3O2

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

  • Molecular FormulaC25H35N3O2
  • Average mass409.564 Da
  • Monoisotopic mass409.272919 Da
  • ChemSpider ID25059283

  • 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-ethyl-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-ethyl-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-éthyl-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-ethyl-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: 578.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.6±3.0 kJ/mol
Flash Point: 303.8±30.1 °C
Index of Refraction: 1.648
Molar Refractivity: 118.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 15.37
ACD/KOC (pH 5.5): 73.77
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 558.08
ACD/KOC (pH 7.4): 2678.60
Polar Surface Area: 38 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 46.4±7.0 dyne/cm
Molar Volume: 325.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement