ChemSpider 2D Image | firsocostat | C28H31N3O8S

firsocostat

  • Molecular FormulaC28H31N3O8S
  • Average mass569.626 Da
  • Monoisotopic mass569.183167 Da
  • ChemSpider ID58789974

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1434635-54-7 [RN]
2-{1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-3-yl}-2-methylpropanoic acid
2-{1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl}-2-methylpropanoic acid
2-{1-[(2R)-2-(2-Methoxyphenyl)-2-(tetrahydro-2H-pyran-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1,4-dihydrothieno[2,3-d]pyrimidin-3(2H)-yl}-2-methylpropanoic acid [ACD/IUPAC Name]
2-{1-[(2R)-2-(2-Methoxyphenyl)-2-(tetrahydro-2H-pyran-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1,4-dihydrothieno[2,3-d]pyrimidin-3(2H)-yl}-2-methylpropansäure [German] [ACD/IUPAC Name]
Acide 2-{1-[(2R)-2-(2-méthoxyphényl)-2-(tétrahydro-2H-pyran-4-yloxy)éthyl]-5-méthyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1,4-dihydrothiéno[2,3-d]pyrimidin-3(2H)-yl}-2-méthylpropanoïque [French] [ACD/IUPAC Name]
firsocostat [INN]
firsocostat [French] [INN]
firsocostat [Spanish] [INN]
firsocostatum [Latin] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ND-630 [DBID]
XE10NJQ95M [DBID]
MFCD28963986 [DBID]
nd630 [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: 779.0±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 118.9±3.0 kJ/mol
    Flash Point: 424.9±35.7 °C
    Index of Refraction: 1.645
    Molar Refractivity: 144.8±0.4 cm3
    #H bond acceptors: 11
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 4.16
    ACD/LogD (pH 5.5): 1.78
    ACD/BCF (pH 5.5): 4.72
    ACD/KOC (pH 5.5): 31.22
    ACD/LogD (pH 7.4): 0.18
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 160 Å2
    Polarizability: 57.4±0.5 10-24cm3
    Surface Tension: 71.4±5.0 dyne/cm
    Molar Volume: 399.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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