ChemSpider 2D Image | 4-[(3,5-Dimethylphenyl)sulfanyl]-5-[(4-hydroxy-1-piperidinyl)methyl]-3-iodo-6-methyl-2(1H)-pyridinone | C20H25IN2O2S

4-[(3,5-Dimethylphenyl)sulfanyl]-5-[(4-hydroxy-1-piperidinyl)methyl]-3-iodo-6-methyl-2(1H)-pyridinone

  • Molecular FormulaC20H25IN2O2S
  • Average mass484.394 Da
  • Monoisotopic mass484.068146 Da
  • ChemSpider ID24641837

More details:

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

2(1H)-Pyridinone, 4-[(3,5-dimethylphenyl)thio]-5-[(4-hydroxy-1-piperidinyl)methyl]-3-iodo-6-methyl- [ACD/Index Name]
4-[(3,5-Dimethylphenyl)sulfanyl]-5-[(4-hydroxy-1-piperidinyl)methyl]-3-iod-6-methyl-2(1H)-pyridinon [German] [ACD/IUPAC Name]
4-[(3,5-Dimethylphenyl)sulfanyl]-5-[(4-hydroxy-1-piperidinyl)methyl]-3-iodo-6-methyl-2(1H)-pyridinone [ACD/IUPAC Name]
4-[(3,5-Diméthylphényl)sulfanyl]-5-[(4-hydroxy-1-pipéridinyl)méthyl]-3-iodo-6-méthyl-2(1H)-pyridinone [French] [ACD/IUPAC Name]
4-(3,5-Dimethylphenylsulfanyl)-5-(4-hydroxypiperidin-1-ylmethyl)-3-iodo-6-methylpyridin-2(1H)-one

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

Density: 1.6±0.1 g/cm3
Boiling Point: 578.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 303.8±30.1 °C
Index of Refraction: 1.677
Molar Refractivity: 116.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.81
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 14.70
ACD/KOC (pH 7.4): 136.98
Polar Surface Area: 78 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 309.5±5.0 cm3

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