ChemSpider 2D Image | BTZ043 | C17H16F3N3O5S

BTZ043

  • Molecular FormulaC17H16F3N3O5S
  • Average mass431.386 Da
  • Monoisotopic mass431.076263 Da
  • ChemSpider ID24747357

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1161233-85-7 [RN]
2-[(2S)-2-Methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-8-nitro-6-(trifluormethyl)-4H-1,3-benzothiazin-4-on [German] [ACD/IUPAC Name]
2-[(2S)-2-Methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-8-nitro-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one [ACD/IUPAC Name]
2-[(2S)-2-Méthyl-1,4-dioxa-8-azaspiro[4.5]déc-8-yl]-8-nitro-6-(trifluorométhyl)-4H-1,3-benzothiazin-4-one [French] [ACD/IUPAC Name]
4H-1,3-Benzothiazin-4-one, 2-[(2S)-2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-8-nitro-6-(trifluoromethyl)- [ACD/Index Name]
BTZ043
BTZ-043
G55ZH52P57
(S)-2-(2-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-8-nitro-6-(trifluoromethyl)-4H-benzo[e][1,3]thiazin-4-one
1161233-85-7 (S-isomer)
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.7±0.1 g/cm3
    Boiling Point: 547.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 82.7±3.0 kJ/mol
    Flash Point: 285.0±32.9 °C
    Index of Refraction: 1.666
    Molar Refractivity: 95.3±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.00
    ACD/LogD (pH 5.5): 2.39
    ACD/BCF (pH 5.5): 38.76
    ACD/KOC (pH 5.5): 477.02
    ACD/LogD (pH 7.4): 2.39
    ACD/BCF (pH 7.4): 38.76
    ACD/KOC (pH 7.4): 477.02
    Polar Surface Area: 122 Å2
    Polarizability: 37.8±0.5 10-24cm3
    Surface Tension: 58.0±7.0 dyne/cm
    Molar Volume: 256.3±7.0 cm3

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