ChemSpider 2D Image | 6-(3-Chloro-2-fluorobenzyl)-1-[(2R)-1-hydroxy-3-methyl-2-butanyl]-7-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid | C23H23ClFNO5

6-(3-Chloro-2-fluorobenzyl)-1-[(2R)-1-hydroxy-3-methyl-2-butanyl]-7-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

  • Molecular FormulaC23H23ClFNO5
  • Average mass447.884 Da
  • Monoisotopic mass447.124878 Da
  • ChemSpider ID23325745

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Quinolinecarboxylic acid, 6-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydro-1-[(1R)-1-(hydroxymethyl)-2-methylpropyl]-7-methoxy-4-oxo- [ACD/Index Name]
6-(3-Chlor-2-fluorbenzyl)-1-[(2R)-1-hydroxy-3-methyl-2-butanyl]-7-methoxy-4-oxo-1,4-dihydro-3-chinolincarbonsäure [German] [ACD/IUPAC Name]
6-(3-Chloro-2-fluorobenzyl)-1-[(2R)-1-hydroxy-3-methyl-2-butanyl]-7-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid [ACD/IUPAC Name]
Acide 6-(3-chloro-2-fluorobenzyl)-1-[(2R)-1-hydroxy-3-méthyl-2-butanyl]-7-méthoxy-4-oxo-1,4-dihydro-3-quinoléinecarboxylique [French] [ACD/IUPAC Name]
(R)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-methylbutan-2-yl)-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
1177256-05-1 [RN]
6-(3-chloro-2-fluorobenzyl)-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
6-?[(3-?chloro-?2-?fluorophenyl)?methyl]?-?1,?4-?dihydro-?1-?[(1R)?-?1-?(hydroxymethyl)?-?2-?methylpropyl]?-?7-?methoxy-?4-?oxo-3-?Quinolinecarboxylic acid
6-[(3-Chloro-2-fluorophenyl)methyl]-1,4-dihydro-1-[(1S)-1-(hydroxymethyl)-2-methylpropyl]-7-methoxy-4-oxo-3-quinolinecarboxylic acid
6-[(3-CHLORO-2-FLUOROPHENYL)METHYL]-1-[(2R)-1-HYDROXY-3-METHYLBUTAN-2-YL]-7-METHOXY-4-OXOQUINOLINE-3-CARBOXYLIC ACID
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

GS-9137 [DBID]
JTK-303 [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: 623.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 330.9±31.5 °C
Index of Refraction: 1.603
Molar Refractivity: 113.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 434.70
ACD/KOC (pH 5.5): 2086.38
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 9.41
ACD/KOC (pH 7.4): 45.17
Polar Surface Area: 87 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 329.9±3.0 cm3

Click to predict properties on the Chemicalize site


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