ChemSpider 2D Image | [6-(2-Hydroxy-6-methoxybenzyl)-6-azaspiro[2.5]oct-1-yl]{4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}methanone | C29H37N3O3

[6-(2-Hydroxy-6-methoxybenzyl)-6-azaspiro[2.5]oct-1-yl]{4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}methanone

  • Molecular FormulaC29H37N3O3
  • Average mass475.622 Da
  • Monoisotopic mass475.283478 Da
  • ChemSpider ID22863129

  • Double-bond stereo - Double-bond stereo

More details:

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

[6-(2-Hydroxy-6-methoxybenzyl)-6-azaspiro[2.5]oct-1-yl]{4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}methanon [German] [ACD/IUPAC Name]
[6-(2-Hydroxy-6-methoxybenzyl)-6-azaspiro[2.5]oct-1-yl]{4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}methanone [ACD/IUPAC Name]
[6-(2-Hydroxy-6-méthoxybenzyl)-6-azaspiro[2.5]oct-1-yl]{4-[(2E)-3-phényl-2-propén-1-yl]-1-pipérazinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, [6-[(2-hydroxy-6-methoxyphenyl)methyl]-6-azaspiro[2.5]oct-1-yl][4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl]- [ACD/Index Name]
3-METHOXY-2-[(1-{4-[(2E)-3-PHENYLPROP-2-EN-1-YL]PIPERAZINE-1-CARBONYL}-6-AZASPIRO[2.5]OCTAN-6-YL)METHYL]PHENOL
3-methoxy-2-{[1-({4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}carbonyl)-6-azaspiro[2.5]oct-6-yl]methyl}phenol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 666.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 356.6±31.5 °C
Index of Refraction: 1.646
Molar Refractivity: 139.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 5.48
ACD/KOC (pH 7.4): 44.83
Polar Surface Area: 56 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 61.0±5.0 dyne/cm
Molar Volume: 382.9±5.0 cm3

Click to predict properties on the Chemicalize site


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