Found 188 results

Search term: MF = 'C_{21}H_{20}F_{3}N_{3}O_{5}S'
ChemSpider 2D Image | 3-[1-Oxo-1-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}-1-piperazinyl)-2-propanyl]-1,3-benzoxazol-2(3H)-one | C21H20F3N3O5S

3-[1-Oxo-1-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}-1-piperazinyl)-2-propanyl]-1,3-benzoxazol-2(3H)-one

  • Molecular FormulaC21H20F3N3O5S
  • Average mass483.461 Da
  • Monoisotopic mass483.107574 Da
  • ChemSpider ID22551094

More details:

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

2(3H)-Benzoxazolone, 3-[1-methyl-2-oxo-2-[4-[[3-(trifluoromethyl)phenyl]sulfonyl]-1-piperazinyl]ethyl]- [ACD/Index Name]
3-[1-Oxo-1-(4-{[3-(trifluormethyl)phenyl]sulfonyl}-1-piperazinyl)-2-propanyl]-1,3-benzoxazol-2(3H)-on [German] [ACD/IUPAC Name]
3-[1-Oxo-1-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}-1-piperazinyl)-2-propanyl]-1,3-benzoxazol-2(3H)-one [ACD/IUPAC Name]
3-[1-Oxo-1-(4-{[3-(trifluorométhyl)phényl]sulfonyl}-1-pipérazinyl)-2-propanyl]-1,3-benzoxazol-2(3H)-one [French] [ACD/IUPAC 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: 627.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 333.2±34.3 °C
Index of Refraction: 1.597
Molar Refractivity: 111.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 87.31
ACD/KOC (pH 5.5): 853.12
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 87.31
ACD/KOC (pH 7.4): 853.12
Polar Surface Area: 96 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 328.3±3.0 cm3

Click to predict properties on the Chemicalize site


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