ChemSpider 2D Image | (3S)-10-[(4Z)-3-(N-Ethoxycarbamimidoyl)-4-(methoxyimino)-1-pyrrolidinyl]-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid | C21H24FN5O6

(3S)-10-[(4Z)-3-(N-Ethoxycarbamimidoyl)-4-(methoxyimino)-1-pyrrolidinyl]-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid

  • Molecular FormulaC21H24FN5O6
  • Average mass461.444 Da
  • Monoisotopic mass461.171051 Da
  • ChemSpider ID26369274

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(3S)-10-[(4Z)-3-(N-Ethoxycarbamimidoyl)-4-(methoxyimino)-1-pyrrolidinyl]-9-fluor-3-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]chinolin-6-carbonsäure [German] [ACD/IUPAC Name]
(3S)-10-[(4Z)-3-(N-Ethoxycarbamimidoyl)-4-(methoxyimino)-1-pyrrolidinyl]-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid [ACD/IUPAC Name]
7H-1,4-Oxazino[2,3,4-ij]quinoline-6-carboxylic acid, 10-[(4Z)-3-[(ethoxyamino)iminomethyl]-4-(methoxyimino)-1-pyrrolidinyl]-9-fluoro-2,3-dihydro-3-methyl-7-oxo-, (3S)- [ACD/Index Name]
Acide (3S)-10-[(4Z)-3-(N-éthoxycarbamimidoyl)-4-(méthoxyimino)-1-pyrrolidinyl]-9-fluoro-3-méthyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoléine-6-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 689.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 370.9±34.3 °C
Index of Refraction: 1.675
Molar Refractivity: 111.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.18
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 1.72
ACD/KOC (pH 5.5): 39.36
ACD/LogD (pH 7.4): -0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 139 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 57.2±7.0 dyne/cm
Molar Volume: 295.6±7.0 cm3

Click to predict properties on the Chemicalize site


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