ChemSpider 2D Image | 2-[(1,5-Dimethyl-1H-pyrazol-4-yl)methyl]-7-(2-fluoro-5-methoxybenzyl)-2,7-diazaspiro[4.5]decan-6-one | C22H29FN4O2

2-[(1,5-Dimethyl-1H-pyrazol-4-yl)methyl]-7-(2-fluoro-5-methoxybenzyl)-2,7-diazaspiro[4.5]decan-6-one

  • Molecular FormulaC22H29FN4O2
  • Average mass400.490 Da
  • Monoisotopic mass400.227448 Da
  • ChemSpider ID22207450

More details:

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

2,7-Diazaspiro[4.5]decan-6-one, 2-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-7-[(2-fluoro-5-methoxyphenyl)methyl]- [ACD/Index Name]
2-[(1,5-Dimethyl-1H-pyrazol-4-yl)methyl]-7-(2-fluor-5-methoxybenzyl)-2,7-diazaspiro[4.5]decan-6-on [German] [ACD/IUPAC Name]
2-[(1,5-Dimethyl-1H-pyrazol-4-yl)methyl]-7-(2-fluoro-5-methoxybenzyl)-2,7-diazaspiro[4.5]decan-6-one [ACD/IUPAC Name]
2-[(1,5-Diméthyl-1H-pyrazol-4-yl)méthyl]-7-(2-fluoro-5-méthoxybenzyl)-2,7-diazaspiro[4.5]décan-6-one [French] [ACD/IUPAC 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: 584.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.3±3.0 kJ/mol
Flash Point: 307.0±30.1 °C
Index of Refraction: 1.611
Molar Refractivity: 110.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): -0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.28
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 5.12
ACD/KOC (pH 7.4): 61.99
Polar Surface Area: 51 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 44.5±7.0 dyne/cm
Molar Volume: 319.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement