ChemSpider 2D Image | Itarnafloxin | C35H33FN6O3

Itarnafloxin

  • Molecular FormulaC35H33FN6O3
  • Average mass604.673 Da
  • Monoisotopic mass604.259827 Da
  • ChemSpider ID9810507

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

Itarnafloxin [INN]
3H-Benzo[b]pyrido[3,2,1-kl]phenoxazine-2-carboxamide, 5-fluoro-N-[2-[(2S)-1-methyl-2-pyrrolidinyl]ethyl]-3-oxo-6-[3-(2-pyrazinyl)-1-pyrrolidinyl]- [ACD/Index Name]
5-Fluor-N-{2-[(2S)-1-methyl-2-pyrrolidinyl]ethyl}-3-oxo-6-[3-(2-pyrazinyl)-1-pyrrolidinyl]-3H-benzo[b]pyrido[3,2,1-kl]phenoxazin-2-carboxamid [German] [ACD/IUPAC Name]
5-Fluoro-N-{2-[(2S)-1-methyl-2-pyrrolidinyl]ethyl}-3-oxo-6-[3-(2-pyrazinyl)-1-pyrrolidinyl]-3H-benzo[b]pyrido[3,2,1-kl]phenoxazine-2-carboxamide [ACD/IUPAC Name]
5-Fluoro-N-{2-[(2S)-1-méthyl-2-pyrrolidinyl]éthyl}-3-oxo-6-[3-(2-pyrazinyl)-1-pyrrolidinyl]-3H-benzo[b]pyrido[3,2,1-kl]phénoxazine-2-carboxamide [French] [ACD/IUPAC Name]
865311-47-3 [RN]
8M31J5031Q
Itarnafloxina [Spanish] [INN]
Itarnafloxine [French] [INN]
Itarnafloxinum [Latin] [INN]
More...

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

8933 [DBID]
CX-3543 [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: 845.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 122.8±3.0 kJ/mol
    Flash Point: 465.0±34.3 °C
    Index of Refraction: 1.732
    Molar Refractivity: 167.6±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 2.97
    ACD/LogD (pH 5.5): 0.56
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.87
    ACD/LogD (pH 7.4): 1.01
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 5.33
    Polar Surface Area: 91 Å2
    Polarizability: 66.4±0.5 10-24cm3
    Surface Tension: 78.9±5.0 dyne/cm
    Molar Volume: 418.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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