ChemSpider 2D Image | 7-(2-Fluoro-5-methoxybenzyl)-2-[3-(1H-pyrazol-1-yl)propyl]-2,7-diazaspiro[4.5]decan-6-one | C22H29FN4O2

7-(2-Fluoro-5-methoxybenzyl)-2-[3-(1H-pyrazol-1-yl)propyl]-2,7-diazaspiro[4.5]decan-6-one

  • Molecular FormulaC22H29FN4O2
  • Average mass400.490 Da
  • Monoisotopic mass400.227448 Da
  • ChemSpider ID22109696

More details:






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

2,7-Diazaspiro[4.5]decan-6-one, 7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[3-(1H-pyrazol-1-yl)propyl]- [ACD/Index Name]
7-(2-Fluor-5-methoxybenzyl)-2-[3-(1H-pyrazol-1-yl)propyl]-2,7-diazaspiro[4.5]decan-6-on [German] [ACD/IUPAC Name]
7-(2-Fluoro-5-methoxybenzyl)-2-[3-(1H-pyrazol-1-yl)propyl]-2,7-diazaspiro[4.5]decan-6-one [ACD/IUPAC Name]
7-(2-Fluoro-5-méthoxybenzyl)-2-[3-(1H-pyrazol-1-yl)propyl]-2,7-diazaspiro[4.5]décan-6-one [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 592.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 312.2±30.1 °C
Index of Refraction: 1.609
Molar Refractivity: 111.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.56
ACD/LogD (pH 5.5): -0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 1.44
ACD/KOC (pH 7.4): 14.96
Polar Surface Area: 51 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 320.8±7.0 cm3

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