ChemSpider 2D Image | 3-({1-[(4-Cyclohexyl-1-piperazinyl)carbonyl]-6-azaspiro[2.5]oct-6-yl}carbonyl)-6,7-dihydro-1-benzofuran-4(5H)-one | C27H37N3O4

3-({1-[(4-Cyclohexyl-1-piperazinyl)carbonyl]-6-azaspiro[2.5]oct-6-yl}carbonyl)-6,7-dihydro-1-benzofuran-4(5H)-one

  • Molecular FormulaC27H37N3O4
  • Average mass467.600 Da
  • Monoisotopic mass467.278412 Da
  • ChemSpider ID22229613

More details:

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

3-({1-[(4-Cyclohexyl-1-piperazinyl)carbonyl]-6-azaspiro[2.5]oct-6-yl}carbonyl)-6,7-dihydro-1-benzofuran-4(5H)-on [German] [ACD/IUPAC Name]
3-({1-[(4-Cyclohexyl-1-piperazinyl)carbonyl]-6-azaspiro[2.5]oct-6-yl}carbonyl)-6,7-dihydro-1-benzofuran-4(5H)-one [ACD/IUPAC Name]
3-({1-[(4-Cyclohexyl-1-pipérazinyl)carbonyl]-6-azaspiro[2.5]oct-6-yl}carbonyl)-6,7-dihydro-1-benzofuran-4(5H)-one [French] [ACD/IUPAC Name]
4(5H)-Benzofuranone, 3-[[1-[(4-cyclohexyl-1-piperazinyl)carbonyl]-6-azaspiro[2.5]oct-6-yl]carbonyl]-6,7-dihydro- [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: 691.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 371.8±31.5 °C
Index of Refraction: 1.618
Molar Refractivity: 127.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 3.76
ACD/KOC (pH 5.5): 40.82
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 50.59
ACD/KOC (pH 7.4): 549.25
Polar Surface Area: 74 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 61.0±5.0 dyne/cm
Molar Volume: 363.7±5.0 cm3

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