ChemSpider 2D Image | 5-(4-{(2R)-2-Hydroxy-3-[4-(2-methoxyphenyl)-1-piperazinyl]propoxy}phenyl)-6-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile | C27H30N4O4

5-(4-{(2R)-2-Hydroxy-3-[4-(2-methoxyphenyl)-1-piperazinyl]propoxy}phenyl)-6-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile

  • Molecular FormulaC27H30N4O4
  • Average mass474.552 Da
  • Monoisotopic mass474.226715 Da
  • ChemSpider ID34994932

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Pyridinecarbonitrile, 1,2-dihydro-5-[4-[(2R)-2-hydroxy-3-[4-(2-methoxyphenyl)-1-piperazinyl]propoxy]phenyl]-6-methyl-2-oxo- [ACD/Index Name]
5-(4-{(2R)-2-Hydroxy-3-[4-(2-methoxyphenyl)-1-piperazinyl]propoxy}phenyl)-6-methyl-2-oxo-1,2-dihydro-3-pyridincarbonitril [German] [ACD/IUPAC Name]
5-(4-{(2R)-2-Hydroxy-3-[4-(2-methoxyphenyl)-1-piperazinyl]propoxy}phenyl)-6-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile [ACD/IUPAC Name]
5-(4-{(2R)-2-Hydroxy-3-[4-(2-méthoxyphényl)-1-pipérazinyl]propoxy}phényl)-6-méthyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile [French] [ACD/IUPAC Name]
102669-89-6 [RN]
saterinone [INN]
UNII-W4P85FO7GS

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

Density: 1.3±0.1 g/cm3
Boiling Point: 733.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.4±3.0 kJ/mol
Flash Point: 397.5±32.9 °C
Index of Refraction: 1.651
Molar Refractivity: 132.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 1.97
ACD/KOC (pH 5.5): 19.04
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 53.22
ACD/KOC (pH 7.4): 513.84
Polar Surface Area: 98 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 65.4±5.0 dyne/cm
Molar Volume: 362.6±5.0 cm3

Click to predict properties on the Chemicalize site


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