Found 84 results

Search term: MF = 'C_{21}H_{16}ClF_{3}N_{4}O_{2}S'
ChemSpider 2D Image | 2-[(2-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-2-oxoethyl)sulfanyl]-N-cyclopropyl-4-quinolinecarboxamide | C21H16ClF3N4O2S

2-[(2-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-2-oxoethyl)sulfanyl]-N-cyclopropyl-4-quinolinecarboxamide

  • Molecular FormulaC21H16ClF3N4O2S
  • Average mass480.891 Da
  • Monoisotopic mass480.063446 Da
  • ChemSpider ID31451262

More details:

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

2-[(2-{[3-Chlor-5-(trifluormethyl)-2-pyridinyl]amino}-2-oxoethyl)sulfanyl]-N-cyclopropyl-4-chinolincarboxamid [German] [ACD/IUPAC Name]
2-[(2-{[3-Chloro-5-(trifluorométhyl)-2-pyridinyl]amino}-2-oxoéthyl)sulfanyl]-N-cyclopropyl-4-quinoléinecarboxamide [French] [ACD/IUPAC Name]
2-[(2-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-2-oxoethyl)sulfanyl]-N-cyclopropyl-4-quinolinecarboxamide [ACD/IUPAC Name]
4-Quinolinecarboxamide, 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl]thio]-N-cyclopropyl- [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: 682.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 366.5±31.5 °C
Index of Refraction: 1.660
Molar Refractivity: 115.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 3.95
ACD/BCF (pH 5.5): 594.91
ACD/KOC (pH 5.5): 3369.33
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 593.28
ACD/KOC (pH 7.4): 3360.10
Polar Surface Area: 109 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 67.6±5.0 dyne/cm
Molar Volume: 313.5±5.0 cm3

Click to predict properties on the Chemicalize site


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