ChemSpider 2D Image | 3-{2-[3-(Dimethylamino)-1-pyrrolidinyl]ethyl}-8-[(1-methyl-1H-pyrazol-4-yl)carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one | C20H32N6O3

3-{2-[3-(Dimethylamino)-1-pyrrolidinyl]ethyl}-8-[(1-methyl-1H-pyrazol-4-yl)carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

  • Molecular FormulaC20H32N6O3
  • Average mass404.507 Da
  • Monoisotopic mass404.253601 Da
  • ChemSpider ID29524839

More details:

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

1-Oxa-3,8-diazaspiro[4.5]decan-2-one, 3-[2-[3-(dimethylamino)-1-pyrrolidinyl]ethyl]-8-[(1-methyl-1H-pyrazol-4-yl)carbonyl]- [ACD/Index Name]
3-{2-[3-(Dimethylamino)-1-pyrrolidinyl]ethyl}-8-[(1-methyl-1H-pyrazol-4-yl)carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-on [German] [ACD/IUPAC Name]
3-{2-[3-(Dimethylamino)-1-pyrrolidinyl]ethyl}-8-[(1-methyl-1H-pyrazol-4-yl)carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one [ACD/IUPAC Name]
3-{2-[3-(Diméthylamino)-1-pyrrolidinyl]éthyl}-8-[(1-méthyl-1H-pyrazol-4-yl)carbonyl]-1-oxa-3,8-diazaspiro[4.5]décan-2-one [French] [ACD/IUPAC Name]
3-{2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl}-8-[(1-methyl-1H-pyrazol-4-yl)carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 645.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 344.4±31.5 °C
Index of Refraction: 1.650
Molar Refractivity: 110.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.89
ACD/LogD (pH 5.5): -3.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.32
Polar Surface Area: 74 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 53.9±7.0 dyne/cm
Molar Volume: 302.8±7.0 cm3

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