ChemSpider 2D Image | 1-{3-[(2-Ethyl-3-pyridinyl)oxy]-5-(2-pyridinylsulfanyl)-2-pyridinyl}-3-methylurea | C19H19N5O2S

1-{3-[(2-Ethyl-3-pyridinyl)oxy]-5-(2-pyridinylsulfanyl)-2-pyridinyl}-3-methylurea

  • Molecular FormulaC19H19N5O2S
  • Average mass381.452 Da
  • Monoisotopic mass381.125946 Da
  • ChemSpider ID35035228

More details:

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

1-{3-[(2-Ethyl-3-pyridinyl)oxy]-5-(2-pyridinylsulfanyl)-2-pyridinyl}-3-methylharnstoff [German] [ACD/IUPAC Name]
1-{3-[(2-Ethyl-3-pyridinyl)oxy]-5-(2-pyridinylsulfanyl)-2-pyridinyl}-3-methylurea [ACD/IUPAC Name]
1-{3-[(2-Éthyl-3-pyridinyl)oxy]-5-(2-pyridinylsulfanyl)-2-pyridinyl}-3-méthylurée [French] [ACD/IUPAC Name]
1-{3-[(2-Ethylpyridin-3-Yl)oxy]-5-(Pyridin-2-Ylsulfanyl)pyridin-2-Yl}-3-Methylurea
Urea, N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-(2-pyridinylthio)-2-pyridinyl]-N'-methyl- [ACD/Index Name]
3LZ
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3338060/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 540.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 280.6±30.1 °C
Index of Refraction: 1.661
Molar Refractivity: 105.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 80.27
ACD/KOC (pH 5.5): 748.40
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 102.61
ACD/KOC (pH 7.4): 956.67
Polar Surface Area: 114 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 71.3±5.0 dyne/cm
Molar Volume: 284.7±5.0 cm3

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