ChemSpider 2D Image | TPX-0005 | C18H18FN5O2

TPX-0005

  • Molecular FormulaC18H18FN5O2
  • Average mass355.366 Da
  • Monoisotopic mass355.144440 Da
  • ChemSpider ID64853849

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,11S)-6-Fluor-3,11-dimethyl-10-oxa-2,13,17,18,21-pentaazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaen-14-on [German] [ACD/IUPAC Name]
(3R,11S)-6-fluoro-3,11-dimethyl-10-oxa-2,13,17,18,21-pentaazatetracyclo[13.5.2.0?,?.0¹?,²²]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one
(3R,11S)-6-Fluoro-3,11-dimethyl-10-oxa-2,13,17,18,21-pentaazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaen-14-one [ACD/IUPAC Name]
(3R,11S)-6-Fluoro-3,11-diméthyl-10-oxa-2,13,17,18,21-pentaazatétracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaén-14-one [French] [ACD/IUPAC Name]
1,15-Etheno-1H-pyrazolo[4,3-f][1,4,8,10]benzoxatriazacyclotridecin-4(5H)-one, 11-fluoro-6,7,13,14-tetrahydro-7,13-dimethyl-, (7S,13R)- [ACD/Index Name]
1802220-02-5 [RN]
TPX-0005
(7S,13R)-11-fluoro-6,7,13,14-tetrahydro-7,13-dimethyl-1,15-etheno-1H-pyrazolo[4,3-f][1,4,8,10]benzoxatriazacyclotridecin-4(5H)-one
BS-15622
MFCD31544350
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

08O3FQ4UNP [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.694
    Molar Refractivity: 93.2±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 1.71
    ACD/LogD (pH 5.5): 1.66
    ACD/BCF (pH 5.5): 10.69
    ACD/KOC (pH 5.5): 189.77
    ACD/LogD (pH 7.4): 1.66
    ACD/BCF (pH 7.4): 10.69
    ACD/KOC (pH 7.4): 189.70
    Polar Surface Area: 81 Å2
    Polarizability: 37.0±0.5 10-24cm3
    Surface Tension: 52.4±7.0 dyne/cm
    Molar Volume: 242.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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