ChemSpider 2D Image | 2-{8-[(1,5-Dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]dec-3-yl}acetamide | C20H32N6O3

2-{8-[(1,5-Dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]dec-3-yl}acetamide

  • Molecular FormulaC20H32N6O3
  • Average mass404.507 Da
  • Monoisotopic mass404.253601 Da
  • ChemSpider ID22215982

More details:

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

1,3,8-Triazaspiro[4.5]decane-3-acetamide, 8-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methylbutyl)-2,4-dioxo- [ACD/Index Name]
2-{8-[(1,5-Dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]dec-3-yl}acetamid [German] [ACD/IUPAC Name]
2-{8-[(1,5-Dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]dec-3-yl}acetamide [ACD/IUPAC Name]
2-{8-[(1,5-Diméthyl-1H-pyrazol-4-yl)méthyl]-1-(3-méthylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]déc-3-yl}acétamide [French] [ACD/IUPAC Name]
2-[8-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]dec-3-yl]acetamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 578.3±60.0 °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: 303.5±32.9 °C
Index of Refraction: 1.637
Molar Refractivity: 110.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.15
ACD/LogD (pH 5.5): -1.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.39
Polar Surface Area: 105 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 52.6±7.0 dyne/cm
Molar Volume: 307.2±7.0 cm3

Click to predict properties on the Chemicalize site


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