ChemSpider 2D Image | 1-Ethyl-7-{(3S)-3-[(ethylamino)methyl]-1-pyrrolidinyl}-6,8-difluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid | C19H23F2N3O3

1-Ethyl-7-{(3S)-3-[(ethylamino)methyl]-1-pyrrolidinyl}-6,8-difluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

  • Molecular FormulaC19H23F2N3O3
  • Average mass379.401 Da
  • Monoisotopic mass379.170746 Da
  • ChemSpider ID28485383

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Ethyl-7-{(3S)-3-[(ethylamino)methyl]-1-pyrrolidinyl}-6,8-difluor-4-oxo-1,4-dihydro-3-chinolincarbonsäure [German] [ACD/IUPAC Name]
1-Ethyl-7-{(3S)-3-[(ethylamino)methyl]-1-pyrrolidinyl}-6,8-difluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid [ACD/IUPAC Name]
3-Quinolinecarboxylic acid, 1-ethyl-7-[(3S)-3-[(ethylamino)methyl]-1-pyrrolidinyl]-6,8-difluoro-1,4-dihydro-4-oxo- [ACD/Index Name]
Acide 1-éthyl-7-{(3S)-3-[(éthylamino)méthyl]-1-pyrrolidinyl}-6,8-difluoro-4-oxo-1,4-dihydro-3-quinoléinecarboxylique [French] [ACD/IUPAC Name]
110013-21-3 [RN]
MERAFLOXACIN [INN]
UNII-G6U51T1K77

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

Density: 1.3±0.1 g/cm3
Boiling Point: 545.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 283.9±30.1 °C
Index of Refraction: 1.566
Molar Refractivity: 94.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): -2.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 73 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 290.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement