ChemSpider 2D Image | N-Benzyl-N-methyl-4-oxo-6-{[3-(trifluoromethyl)phenyl]sulfamoyl}-1,4-dihydro-3-quinolinecarboxamide | C25H20F3N3O4S

N-Benzyl-N-methyl-4-oxo-6-{[3-(trifluoromethyl)phenyl]sulfamoyl}-1,4-dihydro-3-quinolinecarboxamide

  • Molecular FormulaC25H20F3N3O4S
  • Average mass515.504 Da
  • Monoisotopic mass515.112671 Da
  • ChemSpider ID4226762

More details:

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

3-Quinolinecarboxamide, 1,4-dihydro-N-methyl-4-oxo-N-(phenylmethyl)-6-[[[3-(trifluoromethyl)phenyl]amino]sulfonyl]- [ACD/Index Name]
N-Benzyl-N-methyl-4-oxo-6-{[3-(trifluormethyl)phenyl]sulfamoyl}-1,4-dihydro-3-chinolincarboxamid [German] [ACD/IUPAC Name]
N-Benzyl-N-méthyl-4-oxo-6-{[3-(trifluorométhyl)phényl]sulfamoyl}-1,4-dihydro-3-quinoléinecarboxamide [French] [ACD/IUPAC Name]
N-Benzyl-N-methyl-4-oxo-6-{[3-(trifluoromethyl)phenyl]sulfamoyl}-1,4-dihydro-3-quinolinecarboxamide [ACD/IUPAC Name]
N-benzyl-N-methyl-4-oxo-6-({[3-(trifluoromethyl)phenyl]amino}sulfonyl)-1,4-dihydroquinoline-3-carboxamide

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

EU-0098106 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 676.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 362.9±34.3 °C
Index of Refraction: 1.626
Molar Refractivity: 126.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.65
ACD/LogD (pH 5.5): 4.35
ACD/BCF (pH 5.5): 1180.94
ACD/KOC (pH 5.5): 5410.16
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 218.81
ACD/KOC (pH 7.4): 1002.44
Polar Surface Area: 104 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 358.4±3.0 cm3

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