ChemSpider 2D Image | 1-[(2,3-Dimethylcyclohexyl)amino]-1-oxo-2-propanyl 2-({1-[(2,3-dimethylcyclohexyl)amino]-1-oxo-2-propanyl}sulfanyl)nicotinate | C28H43N3O4S

1-[(2,3-Dimethylcyclohexyl)amino]-1-oxo-2-propanyl 2-({1-[(2,3-dimethylcyclohexyl)amino]-1-oxo-2-propanyl}sulfanyl)nicotinate

  • Molecular FormulaC28H43N3O4S
  • Average mass517.724 Da
  • Monoisotopic mass517.297424 Da
  • ChemSpider ID11000712

More details:

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

1-[(2,3-Dimethylcyclohexyl)amino]-1-oxo-2-propanyl 2-({1-[(2,3-dimethylcyclohexyl)amino]-1-oxo-2-propanyl}sulfanyl)nicotinate [ACD/IUPAC Name]
1-[(2,3-Dimethylcyclohexyl)amino]-1-oxo-2-propanyl-2-({1-[(2,3-dimethylcyclohexyl)amino]-1-oxo-2-propanyl}sulfanyl)nicotinat [German] [ACD/IUPAC Name]
2-({1-[(2,3-Diméthylcyclohexyl)amino]-1-oxo-2-propanyl}sulfanyl)nicotinate de 1-[(2,3-diméthylcyclohexyl)amino]-1-oxo-2-propanyle [French] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 2-[[2-[(2,3-dimethylcyclohexyl)amino]-1-methyl-2-oxoethyl]thio]-, 2-[(2,3-dimethylcyclohexyl)amino]-1-methyl-2-oxoethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 715.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 386.3±32.9 °C
Index of Refraction: 1.554
Molar Refractivity: 144.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.95
ACD/LogD (pH 5.5): 5.80
ACD/BCF (pH 5.5): 15081.05
ACD/KOC (pH 5.5): 34080.69
ACD/LogD (pH 7.4): 5.80
ACD/BCF (pH 7.4): 15081.11
ACD/KOC (pH 7.4): 34080.84
Polar Surface Area: 123 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 449.9±5.0 cm3

Click to predict properties on the Chemicalize site


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