ChemSpider 2D Image | 3-[(3-Chloro-4-fluorophenyl)sulfonyl]-4-{[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]amino}-6-quinolinecarbonitrile | C24H20ClFN4O3S

3-[(3-Chloro-4-fluorophenyl)sulfonyl]-4-{[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]amino}-6-quinolinecarbonitrile

  • Molecular FormulaC24H20ClFN4O3S
  • Average mass498.957 Da
  • Monoisotopic mass498.092865 Da
  • ChemSpider ID27319301

More details:

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

3-[(3-Chlor-4-fluorphenyl)sulfonyl]-4-{[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]amino}-6-chinolincarbonitril [German] [ACD/IUPAC Name]
3-[(3-Chloro-4-fluorophényl)sulfonyl]-4-{[3-(3,5-diméthyl-1,2-oxazol-4-yl)propyl]amino}-6-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
3-[(3-Chloro-4-fluorophenyl)sulfonyl]-4-{[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]amino}-6-quinolinecarbonitrile [ACD/IUPAC Name]
6-Quinolinecarbonitrile, 3-[(3-chloro-4-fluorophenyl)sulfonyl]-4-[[3-(3,5-dimethyl-4-isoxazolyl)propyl]amino]- [ACD/Index Name]
3-[(3-chloro-4-fluorophenyl)sulfonyl]-4-{[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]amino}quinoline-6-carbonitrile
3-[(3-chloro-4-fluorophenyl)sulfonyl]-4-{[3-(3,5-dimethylisoxazol-4-yl)propyl]amino}quinoline-6-carbonitrile
MFCD20754244

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

Density: 1.5±0.1 g/cm3
Boiling Point: 750.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 407.6±32.9 °C
Index of Refraction: 1.663
Molar Refractivity: 126.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.42
ACD/LogD (pH 5.5): 5.75
ACD/BCF (pH 5.5): 13742.26
ACD/KOC (pH 5.5): 31877.92
ACD/LogD (pH 7.4): 5.75
ACD/BCF (pH 7.4): 13755.45
ACD/KOC (pH 7.4): 31908.53
Polar Surface Area: 117 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 71.9±5.0 dyne/cm
Molar Volume: 342.6±5.0 cm3

Click to predict properties on the Chemicalize site


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