Found 188 results

Search term: MF = 'C_{21}H_{20}F_{3}N_{3}O_{5}S'
ChemSpider 2D Image | 2-(1,1-Dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)ethyl 1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxylate | C21H20F3N3O5S

2-(1,1-Dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)ethyl 1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxylate

  • Molecular FormulaC21H20F3N3O5S
  • Average mass483.461 Da
  • Monoisotopic mass483.107574 Da
  • ChemSpider ID21965030

More details:

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

1-[5-(Trifluorométhyl)-2-pyridinyl]-4-pipéridinecarboxylate de 2-(3-oxo-1,1-dioxydo-1,2-benzothiazol-2(3H)-yl)éthyle [French] [ACD/IUPAC Name]
2-(1,1-Dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)ethyl 1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxylate [ACD/IUPAC Name]
2-(1,1-Dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)ethyl-1-[5-(trifluormethyl)-2-pyridinyl]-4-piperidincarboxylat [German] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[5-(trifluoromethyl)-2-pyridinyl]-, 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester [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: 644.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 343.6±34.3 °C
Index of Refraction: 1.581
Molar Refractivity: 110.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 18.26
ACD/KOC (pH 5.5): 164.65
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 108.50
ACD/KOC (pH 7.4): 978.14
Polar Surface Area: 105 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 331.2±3.0 cm3

Click to predict properties on the Chemicalize site


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