ChemSpider 2D Image | Pnu-103264 | C28H28N2O5S

Pnu-103264

  • Molecular FormulaC28H28N2O5S
  • Average mass504.597 Da
  • Monoisotopic mass504.171906 Da
  • ChemSpider ID13372515

More details:

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

166335-18-8 [RN]
4-Cyan-N-{3-[cyclopropyl(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-3-yl)methyl]phenyl}benzolsulfonamid [German] [ACD/IUPAC Name]
4-Cyano-N-(3-(cyclopropyl(5,6,7,8,9,10-hexahydro-4-hydroxy-2-oxo-2H-cycloocta(b)pyran-3-yl)methyl)phenyl)benzenesulfonamide
4-Cyano-N-(3-(cyclopropyl(5,6,7,8,9,10-hexahydro-4-hydroxy-2-oxo-2H-cycloocta[b]pyran-3-yl)methyl )phenyl)benzenesulfonamide
4-Cyano-N-{3-[cyclopropyl(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-3-yl)methyl]phenyl}benzenesulfonamide [ACD/IUPAC Name]
4-Cyano-N-{3-[cyclopropyl(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-3-yl)méthyl]phényl}benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 4-cyano-N-(3-(cyclopropyl(5,6,7,8,9,10-hexahydro-4-hydroxy-2-oxo-2H-cycloocta(b)pyran-3-yl)methyl)phenyl)-
Benzenesulfonamide, 4-cyano-N-[3-[cyclopropyl(5,6,7,8,9,10-hexahydro-4-hydroxy-2-oxo-2H-cycloocta[b]pyran-3-yl)methyl]phenyl]- [ACD/Index Name]
Pnu-103264
Pnu-103265
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Pnu-103017 [DBID]
PNU 103017 [DBID]
PNU 103265 [DBID]
U-103017 [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: 721.3±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 110.6±3.0 kJ/mol
    Flash Point: 390.0±35.7 °C
    Index of Refraction: 1.666
    Molar Refractivity: 134.1±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 5.60
    ACD/LogD (pH 5.5): 3.74
    ACD/BCF (pH 5.5): 229.85
    ACD/KOC (pH 5.5): 859.64
    ACD/LogD (pH 7.4): 1.63
    ACD/BCF (pH 7.4): 1.80
    ACD/KOC (pH 7.4): 6.72
    Polar Surface Area: 125 Å2
    Polarizability: 53.2±0.5 10-24cm3
    Surface Tension: 69.7±5.0 dyne/cm
    Molar Volume: 360.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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