ChemSpider 2D Image | (3S)-2-(7-Chloro-1,8-naphthyridin-2-yl)-3-(5-methyl-2-oxohexyl)-1-isoindolinone | C23H22ClN3O2

(3S)-2-(7-Chloro-1,8-naphthyridin-2-yl)-3-(5-methyl-2-oxohexyl)-1-isoindolinone

  • Molecular FormulaC23H22ClN3O2
  • Average mass407.893 Da
  • Monoisotopic mass407.140045 Da
  • ChemSpider ID28475365

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Featured data source
The Merck Index Online

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

(3S)-2-(7-Chlor-1,8-naphthyridin-2-yl)-3-(5-methyl-2-oxohexyl)-1-isoindolinon [German] [ACD/IUPAC Name]
(3S)-2-(7-Chloro-1,8-naphthyridin-2-yl)-3-(5-methyl-2-oxohexyl)-1-isoindolinone [ACD/IUPAC Name]
(3S)-2-(7-Chloro-1,8-naphtyridin-2-yl)-3-(5-méthyl-2-oxohexyl)-1-isoindolinone [French] [ACD/IUPAC Name]
1H-Isoindol-1-one, 2-(7-chloro-1,8-naphthyridin-2-yl)-2,3-dihydro-3-(5-methyl-2-oxohexyl)-, (3S)- [ACD/Index Name]
Pagoclone [USAN] [Wiki]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 582.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 305.9±30.1 °C
Index of Refraction: 1.626
Molar Refractivity: 113.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1741.87
ACD/KOC (pH 5.5): 7269.38
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1742.14
ACD/KOC (pH 7.4): 7270.51
Polar Surface Area: 63 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 320.4±3.0 cm3

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