ChemSpider 2D Image | 1-[7-(4-Fluorobenzyl)-2,7-diazaspiro[4.5]dec-2-yl]-3-(3-methyl-1H-pyrazol-1-yl)-1-propanone | C22H29FN4O

1-[7-(4-Fluorobenzyl)-2,7-diazaspiro[4.5]dec-2-yl]-3-(3-methyl-1H-pyrazol-1-yl)-1-propanone

  • Molecular FormulaC22H29FN4O
  • Average mass384.490 Da
  • Monoisotopic mass384.232544 Da
  • ChemSpider ID22147440

More details:

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

1-[7-(4-Fluorbenzyl)-2,7-diazaspiro[4.5]dec-2-yl]-3-(3-methyl-1H-pyrazol-1-yl)-1-propanon [German] [ACD/IUPAC Name]
1-[7-(4-Fluorobenzyl)-2,7-diazaspiro[4.5]dec-2-yl]-3-(3-methyl-1H-pyrazol-1-yl)-1-propanone [ACD/IUPAC Name]
1-[7-(4-Fluorobenzyl)-2,7-diazaspiro[4.5]déc-2-yl]-3-(3-méthyl-1H-pyrazol-1-yl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]dec-2-yl]-3-(3-methyl-1H-pyrazol-1-yl)- [ACD/Index Name]
7-(4-fluorobenzyl)-2-[3-(3-methyl-1H-pyrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decane

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

Density: 1.2±0.1 g/cm3
Boiling Point: 548.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 285.8±30.1 °C
Index of Refraction: 1.615
Molar Refractivity: 109.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.33
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 3.81
ACD/KOC (pH 7.4): 33.08
Polar Surface Area: 41 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 314.3±7.0 cm3

Click to predict properties on the Chemicalize site


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