ChemSpider 2D Image | 3-[3-(4-Ethyl-1-piperazinyl)propyl]-8-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one | C21H35N5O3

3-[3-(4-Ethyl-1-piperazinyl)propyl]-8-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

  • Molecular FormulaC21H35N5O3
  • Average mass405.534 Da
  • Monoisotopic mass405.273987 Da
  • ChemSpider ID29470333

More details:

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

1-Oxa-3,8-diazaspiro[4.5]decan-2-one, 3-[3-(4-ethyl-1-piperazinyl)propyl]-8-[(3-methyl-5-isoxazolyl)methyl]- [ACD/Index Name]
3-[3-(4-Ethyl-1-piperazinyl)propyl]-8-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-on [German] [ACD/IUPAC Name]
3-[3-(4-Ethyl-1-piperazinyl)propyl]-8-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one [ACD/IUPAC Name]
3-[3-(4-Éthyl-1-pipérazinyl)propyl]-8-[(3-méthyl-1,2-oxazol-5-yl)méthyl]-1-oxa-3,8-diazaspiro[4.5]décan-2-one [French] [ACD/IUPAC Name]
3-[3-(4-ethylpiperazin-1-yl)propyl]-8-[(3-methylisoxazol-5-yl)methyl]-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: 1.2±0.1 g/cm3
Boiling Point: 602.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 318.3±31.5 °C
Index of Refraction: 1.589
Molar Refractivity: 111.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.55
ACD/LogD (pH 5.5): -2.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.66
Polar Surface Area: 65 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 331.5±5.0 cm3

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