ChemSpider 2D Image | 1-Ethyl-4-({2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl}sulfonyl)piperazine | C18H22F3N3O3S

1-Ethyl-4-({2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl}sulfonyl)piperazine

  • Molecular FormulaC18H22F3N3O3S
  • Average mass417.446 Da
  • Monoisotopic mass417.133392 Da
  • ChemSpider ID21780632

More details:

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

1-Ethyl-4-({2-ethyl-5-[5-(trifluormethyl)-1,2-oxazol-3-yl]phenyl}sulfonyl)piperazin [German] [ACD/IUPAC Name]
1-Ethyl-4-({2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl}sulfonyl)piperazine [ACD/IUPAC Name]
1-Éthyl-4-({2-éthyl-5-[5-(trifluorométhyl)-1,2-oxazol-3-yl]phényl}sulfonyl)pipérazine [French] [ACD/IUPAC Name]
Piperazine, 1-ethyl-4-[[2-ethyl-5-[5-(trifluoromethyl)-3-isoxazolyl]phenyl]sulfonyl]- [ACD/Index Name]
2-Ethoxy-N-isopropyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide [ACD/IUPAC 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: 534.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 277.0±32.9 °C
Index of Refraction: 1.524
Molar Refractivity: 98.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 6.17
ACD/KOC (pH 5.5): 44.95
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 163.02
ACD/KOC (pH 7.4): 1188.11
Polar Surface Area: 75 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 321.0±3.0 cm3

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