ChemSpider 2D Image | 4,6-Dimethyl-2-[(4-phenyl-3,6-dihydro-1(2H)-pyridinyl)methyl][1,2]thiazolo[5,4-b]pyridin-3(2H)-one | C20H21N3OS

4,6-Dimethyl-2-[(4-phenyl-3,6-dihydro-1(2H)-pyridinyl)methyl][1,2]thiazolo[5,4-b]pyridin-3(2H)-one

  • Molecular FormulaC20H21N3OS
  • Average mass351.465 Da
  • Monoisotopic mass351.140533 Da
  • ChemSpider ID21133116

More details:

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

4,6-dimethyl-2-((4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)methyl)isothiazolo(5,4-b)pyridin-3(2H)-one
4,6-Dimethyl-2-[(4-phenyl-3,6-dihydro-1(2H)-pyridinyl)methyl][1,2]thiazolo[5,4-b]pyridin-3(2H)-on [German] [ACD/IUPAC Name]
4,6-Dimethyl-2-[(4-phenyl-3,6-dihydro-1(2H)-pyridinyl)methyl][1,2]thiazolo[5,4-b]pyridin-3(2H)-one [ACD/IUPAC Name]
4,6-Diméthyl-2-[(4-phényl-3,6-dihydro-1(2H)-pyridinyl)méthyl][1,2]thiazolo[5,4-b]pyridin-3(2H)-one [French] [ACD/IUPAC Name]
Isothiazolo[5,4-b]pyridin-3(2H)-one, 2-[(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)methyl]-4,6-dimethyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 551.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 287.3±32.9 °C
Index of Refraction: 1.656
Molar Refractivity: 102.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 108.05
ACD/KOC (pH 5.5): 955.33
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 123.91
ACD/KOC (pH 7.4): 1095.53
Polar Surface Area: 62 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 56.9±3.0 dyne/cm
Molar Volume: 277.9±3.0 cm3

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