ChemSpider 2D Image | 3-[2-(4-Acetyl-1-piperazinyl)-2-oxoethyl]-8-(2-methoxybenzoyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one | C29H35N5O5

3-[2-(4-Acetyl-1-piperazinyl)-2-oxoethyl]-8-(2-methoxybenzoyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

  • Molecular FormulaC29H35N5O5
  • Average mass533.619 Da
  • Monoisotopic mass533.263794 Da
  • ChemSpider ID3139127

More details:

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

1,3,8-Triazaspiro[4.5]decan-4-one, 3-[2-(4-acetyl-1-piperazinyl)-2-oxoethyl]-8-(2-methoxybenzoyl)-1-phenyl- [ACD/Index Name]
3-[2-(4-Acetyl-1-piperazinyl)-2-oxoethyl]-8-(2-methoxybenzoyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-on [German] [ACD/IUPAC Name]
3-[2-(4-Acetyl-1-piperazinyl)-2-oxoethyl]-8-(2-methoxybenzoyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one [ACD/IUPAC Name]
3-[2-(4-Acétyl-1-pipérazinyl)-2-oxoéthyl]-8-(2-méthoxybenzoyl)-1-phényl-1,3,8-triazaspiro[4.5]décan-4-one [French] [ACD/IUPAC 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: 830.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.7±3.0 kJ/mol
Flash Point: 455.9±34.3 °C
Index of Refraction: 1.659
Molar Refractivity: 145.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.68
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 8.56
ACD/KOC (pH 5.5): 161.80
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 8.56
ACD/KOC (pH 7.4): 161.81
Polar Surface Area: 94 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 68.7±5.0 dyne/cm
Molar Volume: 395.0±5.0 cm3

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