ChemSpider 2D Image | 1-{4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-piperazinyl}-2-{[4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone | C19H24N6O5S2

1-{4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-piperazinyl}-2-{[4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone

  • Molecular FormulaC19H24N6O5S2
  • Average mass480.561 Da
  • Monoisotopic mass480.124969 Da
  • ChemSpider ID24107455

More details:

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

1-{4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-piperazinyl}-2-{[4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanon [German] [ACD/IUPAC Name]
1-{4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-piperazinyl}-2-{[4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone [ACD/IUPAC Name]
1-{4-[(3,5-Diméthyl-1,2-oxazol-4-yl)sulfonyl]-1-pipérazinyl}-2-{[4-éthyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1-piperazinyl]-2-[[4-ethyl-5-(2-furanyl)-4H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 741.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 402.1±35.7 °C
Index of Refraction: 1.704
Molar Refractivity: 121.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.80
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 7.11
ACD/KOC (pH 5.5): 141.63
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 7.11
ACD/KOC (pH 7.4): 141.64
Polar Surface Area: 161 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 63.1±7.0 dyne/cm
Molar Volume: 313.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement