ChemSpider 2D Image | N-(4-Acetamidophenyl)-2-{[3-(2-furylmethyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide | C31H30N4O4S

N-(4-Acetamidophenyl)-2-{[3-(2-furylmethyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide

  • Molecular FormulaC31H30N4O4S
  • Average mass554.659 Da
  • Monoisotopic mass554.198792 Da
  • ChemSpider ID1167211

More details:

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

Acetamide, N-[4-(acetylamino)phenyl]-2-[[3-(2-furanylmethyl)-4,6-dihydro-4-oxospiro[benzo[h]quinazoline-5(3H),1'-cyclopentan]-2-yl]thio]- [ACD/Index Name]
N-(4-Acetamidophenyl)-2-{[3-(2-furylmethyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide [ACD/IUPAC Name]
714927-63-6 [RN]
N-(4-acetamidophenyl)-2-((3-(furan-2-ylmethyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide
N-(4-acetamidophenyl)-2-[3-(furan-2-ylmethyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanylacetamide
N-[4-(acetylamino)phenyl]-2-{[3-(furan-2-ylmethyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide

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

ZINC01273091 [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:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.700
    Molar Refractivity: 155.3±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 4.94
    ACD/LogD (pH 5.5): 4.55
    ACD/BCF (pH 5.5): 1675.64
    ACD/KOC (pH 5.5): 7070.59
    ACD/LogD (pH 7.4): 4.55
    ACD/BCF (pH 7.4): 1675.79
    ACD/KOC (pH 7.4): 7071.20
    Polar Surface Area: 129 Å2
    Polarizability: 61.6±0.5 10-24cm3
    Surface Tension: 57.9±7.0 dyne/cm
    Molar Volume: 402.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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