ChemSpider 2D Image | 2-Oxo-2-{[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]amino}ethyl 2-ethyl-3-methyl-4-quinolinecarboxylate | C27H30N4O5S

2-Oxo-2-{[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]amino}ethyl 2-ethyl-3-methyl-4-quinolinecarboxylate

  • Molecular FormulaC27H30N4O5S
  • Average mass522.616 Da
  • Monoisotopic mass522.193665 Da
  • ChemSpider ID3414103

More details:

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

2-Éthyl-3-méthyl-4-quinoléinecarboxylate de 2-oxo-2-{[3-(3,4,5,6-tétrahydro-2H-azépin-7-ylsulfamoyl)phényl]amino}éthyle [French] [ACD/IUPAC Name]
2-Oxo-2-{[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]amino}ethyl 2-ethyl-3-methyl-4-quinolinecarboxylate [ACD/IUPAC Name]
2-Oxo-2-{[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]amino}ethyl-2-ethyl-3-methyl-4-chinolincarboxylat [German] [ACD/IUPAC Name]
4-Quinolinecarboxylic acid, 2-ethyl-3-methyl-, 2-oxo-2-[[3-[[(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]sulfonyl]phenyl]amino]ethyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.643
Molar Refractivity: 141.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 14.79
ACD/KOC (pH 5.5): 102.00
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 49.66
ACD/KOC (pH 7.4): 342.52
Polar Surface Area: 135 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 52.7±7.0 dyne/cm
Molar Volume: 391.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement