ChemSpider 2D Image | 1-(2-Furylmethyl)-1-{1-[4-(hexyloxy)phenyl]-2,5-dioxo-3-pyrrolidinyl}-3-phenylthiourea | C28H31N3O4S

1-(2-Furylmethyl)-1-{1-[4-(hexyloxy)phenyl]-2,5-dioxo-3-pyrrolidinyl}-3-phenylthiourea

  • Molecular FormulaC28H31N3O4S
  • Average mass505.628 Da
  • Monoisotopic mass505.203522 Da
  • ChemSpider ID3600394

More details:

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

1-(2-Furylmethyl)-1-{1-[4-(hexyloxy)phenyl]-2,5-dioxo-3-pyrrolidinyl}-3-phenylthioharnstoff [German] [ACD/IUPAC Name]
1-(2-Furylmethyl)-1-{1-[4-(hexyloxy)phenyl]-2,5-dioxo-3-pyrrolidinyl}-3-phenylthiourea [ACD/IUPAC Name]
1-(2-Furylméthyl)-1-{1-[4-(hexyloxy)phényl]-2,5-dioxo-3-pyrrolidinyl}-3-phénylthiourée [French] [ACD/IUPAC Name]
1-(2-Furylmethyl)-1-{1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl}-3-phenylthiourea
Thiourea, N-(2-furanylmethyl)-N-[1-[4-(hexyloxy)phenyl]-2,5-dioxo-3-pyrrolidinyl]-N'-phenyl- [ACD/Index Name]
1-(furan-2-ylmethyl)-1-[1-(4-hexoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-phenylthiourea
1-(furan-2-ylmethyl)-1-{1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl}-3-phenylthiourea
1031780-86-5 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 702.2±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 102.8±3.0 kJ/mol
    Flash Point: 378.5±35.7 °C
    Index of Refraction: 1.645
    Molar Refractivity: 142.7±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 1
    ACD/LogP: 4.51
    ACD/LogD (pH 5.5): 4.99
    ACD/BCF (pH 5.5): 3636.90
    ACD/KOC (pH 5.5): 12313.04
    ACD/LogD (pH 7.4): 4.99
    ACD/BCF (pH 7.4): 3636.28
    ACD/KOC (pH 7.4): 12310.92
    Polar Surface Area: 107 Å2
    Polarizability: 56.6±0.5 10-24cm3
    Surface Tension: 64.0±5.0 dyne/cm
    Molar Volume: 393.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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