ChemSpider 2D Image | 3-{3-[3-(Dimethylamino)-1-pyrrolidinyl]propyl}-8-(6-methoxy-4-pyrimidinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one | C21H34N6O3

3-{3-[3-(Dimethylamino)-1-pyrrolidinyl]propyl}-8-(6-methoxy-4-pyrimidinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

  • Molecular FormulaC21H34N6O3
  • Average mass418.533 Da
  • Monoisotopic mass418.269226 Da
  • ChemSpider ID29706977

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-[3-(dimethylamino)-1-pyrrolidinyl]propyl]-8-(6-methoxy-4-pyrimidinyl)- [ACD/Index Name]
3-{3-[3-(Dimethylamino)-1-pyrrolidinyl]propyl}-8-(6-methoxy-4-pyrimidinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-on [German] [ACD/IUPAC Name]
3-{3-[3-(Dimethylamino)-1-pyrrolidinyl]propyl}-8-(6-methoxy-4-pyrimidinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one [ACD/IUPAC Name]
3-{3-[3-(Diméthylamino)-1-pyrrolidinyl]propyl}-8-(6-méthoxy-4-pyrimidinyl)-1-oxa-3,8-diazaspiro[4.5]décan-2-one [French] [ACD/IUPAC Name]
3-{3-[3-(dimethylamino)pyrrolidin-1-yl]propyl}-8-(6-methoxypyrimidin-4-yl)-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: 646.3±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: 344.6±31.5 °C
Index of Refraction: 1.602
Molar Refractivity: 114.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.22
ACD/LogD (pH 5.5): -2.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.50
Polar Surface Area: 74 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 61.6±5.0 dyne/cm
Molar Volume: 332.3±5.0 cm3

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