Found 82 results

Search term: MF = 'C_{24}H_{21}F_{2}N_{3}O_{5}S'
ChemSpider 2D Image | Ethyl 2-{[(3,4-difluorophenyl)sulfinyl]methyl}-6-hydroxy-5-(1H-imidazol-1-ylmethyl)-7-methoxy-3-quinolinecarboxylate | C24H21F2N3O5S

Ethyl 2-{[(3,4-difluorophenyl)sulfinyl]methyl}-6-hydroxy-5-(1H-imidazol-1-ylmethyl)-7-methoxy-3-quinolinecarboxylate

  • Molecular FormulaC24H21F2N3O5S
  • Average mass501.502 Da
  • Monoisotopic mass501.117004 Da
  • ChemSpider ID23329709

More details:

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

2-{[(3,4-Difluorophényl)sulfinyl]méthyl}-6-hydroxy-5-(1H-imidazol-1-ylméthyl)-7-méthoxy-3-quinoléinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Quinolinecarboxylic acid, 2-[[(3,4-difluorophenyl)sulfinyl]methyl]-6-hydroxy-5-(1H-imidazol-1-ylmethyl)-7-methoxy-, ethyl ester [ACD/Index Name]
Ethyl 2-{[(3,4-difluorophenyl)sulfinyl]methyl}-6-hydroxy-5-(1H-imidazol-1-ylmethyl)-7-methoxy-3-quinolinecarboxylate [ACD/IUPAC Name]
Ethyl-2-{[(3,4-difluorphenyl)sulfinyl]methyl}-6-hydroxy-5-(1H-imidazol-1-ylmethyl)-7-methoxy-3-chinolincarboxylat [German] [ACD/IUPAC Name]
ethyl 2-{[(3,4-difluorophenyl)sulfinyl]methyl}-6-hydroxy-5-(1H-imidazol-1-ylmethyl)-7-methoxyquinoline-3-carboxylate
Ethyl 5-((1H-imidazol-1-yl)methyl)-2-((3,4-difluorophenylsulfinyl)methyl)-6-hydroxy-7-methoxyquinoline-3-carboxylate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL454091/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 727.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 393.8±32.9 °C
Index of Refraction: 1.648
Molar Refractivity: 125.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 52.37
ACD/KOC (pH 5.5): 395.74
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 163.05
ACD/KOC (pH 7.4): 1232.22
Polar Surface Area: 123 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 54.0±7.0 dyne/cm
Molar Volume: 345.4±7.0 cm3

Click to predict properties on the Chemicalize site


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