ChemSpider 2D Image | YM-538853 | C13H13N3O3S

YM-538853

  • Molecular FormulaC13H13N3O3S
  • Average mass291.326 Da
  • Monoisotopic mass291.067749 Da
  • ChemSpider ID40122046

More details:

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

(4-{[(2-Amino-1,3-thiazol-4-yl)acetyl]amino}phenyl)acetic acid [ACD/IUPAC Name]
(4-{[(2-Amino-1,3-thiazol-4-yl)acetyl]amino}phenyl)essigsäure [German] [ACD/IUPAC Name]
1365244-64-9 [RN]
8OBH7Z0622
Acide (4-{[2-(2-amino-1,3-thiazol-4-yl)acétyl]amino}phényl)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-[[2-(2-amino-4-thiazolyl)acetyl]amino]- [ACD/Index Name]
YM-538853
4-[[2-(2-Amino-4-thiazolyl)acetyl]amino]-benzeneacetic Acid
Mirabegron (m8)
UNII:8OBH7Z0622

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 646.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 100.2±3.0 kJ/mol
    Flash Point: 344.6±30.1 °C
    Index of Refraction: 1.715
    Molar Refractivity: 76.8±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 4
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.06
    ACD/LogD (pH 5.5): -0.31
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.65
    ACD/LogD (pH 7.4): -2.10
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 134 Å2
    Polarizability: 30.5±0.5 10-24cm3
    Surface Tension: 79.8±3.0 dyne/cm
    Molar Volume: 195.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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