ChemSpider 2D Image | (5S)-5-{3-Chloro-5-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-pyridinyl]-2-thienyl}-2,5-dimethyl-1,2,4-thiadiazinan-3-imine 1,1-dioxide | C19H19ClN6O3S2

(5S)-5-{3-Chloro-5-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-pyridinyl]-2-thienyl}-2,5-dimethyl-1,2,4-thiadiazinan-3-imine 1,1-dioxide

  • Molecular FormulaC19H19ClN6O3S2
  • Average mass478.976 Da
  • Monoisotopic mass478.064850 Da
  • ChemSpider ID76774781

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5S) 1,1-Dioxyde de 5-{3-chloro-5-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-pyridinyl]-2-thiényl}-2,5-diméthyl-1,2,4-thiadiazinan-3-imine [French] [ACD/IUPAC Name]
(5S)-5-{3-Chlor-5-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-pyridinyl]-2-thienyl}-2,5-dimethyl-1,2,4-thiadiazinan-3-imin-1,1-dioxid [German] [ACD/IUPAC Name]
(5S)-5-{3-Chloro-5-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-pyridinyl]-2-thienyl}-2,5-dimethyl-1,2,4-thiadiazinan-3-imine 1,1-dioxide [ACD/IUPAC Name]
2H-1,2,4-Thiadiazin-3(4H)-imine, 5-[3-chloro-5-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-pyridinyl]-2-thienyl]dihydro-2,5-dimethyl-, 1,1-dioxide, (5S)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 670.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 359.6±34.3 °C
Index of Refraction: 1.810
Molar Refractivity: 119.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.54
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 6.17
ACD/KOC (pH 5.5): 128.00
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 6.17
ACD/KOC (pH 7.4): 128.00
Polar Surface Area: 162 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 74.9±7.0 dyne/cm
Molar Volume: 276.3±7.0 cm3

Click to predict properties on the Chemicalize site


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