Found 9 results

Search term: MF = 'C_{24}H_{21}BrN_{2}O_{5}S_{2}'
ChemSpider 2D Image | 2-Bromo-6-methoxy-4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl 4-methylbenzenesulfonate | C24H21BrN2O5S2

2-Bromo-6-methoxy-4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl 4-methylbenzenesulfonate

  • Molecular FormulaC24H21BrN2O5S2
  • Average mass561.468 Da
  • Monoisotopic mass560.007507 Da
  • ChemSpider ID1399785

More details:

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

[1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 2-[3-bromo-5-methoxy-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]-5,6,7,8-tetrahydro- [ACD/Index Name]
2-Brom-6-methoxy-4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl-4-methylbenzolsulfonat [German] [ACD/IUPAC Name]
2-Bromo-6-methoxy-4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl 4-methylbenzenesulfonate [ACD/IUPAC Name]
4-Méthylbenzènesulfonate de 2-bromo-6-méthoxy-4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothiéno[2,3-d]pyrimidin-2-yl)phényle [French] [ACD/IUPAC Name]
[2-bromo-6-methoxy-4-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)phenyl] 4-methylbenzenesulfonate
2-bromo-4-(4-hydroxy-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)-6-methoxyphenyl 4-methylbenzenesulfonate
524736-65-0 [RN]
AC1LWMUB
AKOS005394677
FHYPQKNQWSYLBP-UHFFFAOYSA-N
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AM-900/15548162 [DBID]
ZINC02124718 [DBID]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.721
    Molar Refractivity: 134.9±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 2
    ACD/LogP: 5.55
    ACD/LogD (pH 5.5): 5.26
    ACD/BCF (pH 5.5): 5896.28
    ACD/KOC (pH 5.5): 17400.81
    ACD/LogD (pH 7.4): 5.26
    ACD/BCF (pH 7.4): 5889.19
    ACD/KOC (pH 7.4): 17379.91
    Polar Surface Area: 131 Å2
    Polarizability: 53.5±0.5 10-24cm3
    Surface Tension: 60.0±7.0 dyne/cm
    Molar Volume: 341.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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