ChemSpider 2D Image | 2-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-1-[2-(1-cyclohexen-1-yl)ethyl]-5-[(2,6-dimethylbenzyl)oxy]-4(1H)-pyridinone | C30H32N2O2S2

2-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-1-[2-(1-cyclohexen-1-yl)ethyl]-5-[(2,6-dimethylbenzyl)oxy]-4(1H)-pyridinone

  • Molecular FormulaC30H32N2O2S2
  • Average mass516.717 Da
  • Monoisotopic mass516.190491 Da
  • ChemSpider ID123450276

More details:

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

2-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-1-[2-(1-cyclohexen-1-yl)ethyl]-5-[(2,6-dimethylbenzyl)oxy]-4(1H)-pyridinon [German] [ACD/IUPAC Name]
2-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-1-[2-(1-cyclohexen-1-yl)ethyl]-5-[(2,6-dimethylbenzyl)oxy]-4(1H)-pyridinone [ACD/IUPAC Name]
2-[(1,3-Benzothiazol-2-ylsulfanyl)méthyl]-1-[2-(1-cyclohexén-1-yl)éthyl]-5-[(2,6-diméthylbenzyl)oxy]-4(1H)-pyridinone [French] [ACD/IUPAC Name]
4(1H)-Pyridinone, 2-[(2-benzothiazolylthio)methyl]-1-[2-(1-cyclohexen-1-yl)ethyl]-5-[(2,6-dimethylphenyl)methoxy]- [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: 684.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 367.8±34.3 °C
Index of Refraction: 1.673
Molar Refractivity: 152.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.59
ACD/LogD (pH 5.5): 6.90
ACD/BCF (pH 5.5): 103882.63
ACD/KOC (pH 5.5): 135646.06
ACD/LogD (pH 7.4): 6.90
ACD/BCF (pH 7.4): 103893.69
ACD/KOC (pH 7.4): 135660.52
Polar Surface Area: 96 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 406.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement