ChemSpider 2D Image | 2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}-3-(cyclohexylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one | C32H35ClN2O2S

2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}-3-(cyclohexylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one

  • Molecular FormulaC32H35ClN2O2S
  • Average mass547.151 Da
  • Monoisotopic mass546.210754 Da
  • ChemSpider ID1301654

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

2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}-3-(cyclohexylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one [ACD/IUPAC Name]
Spiro[benzo[h]quinazoline-5(3H),1'-cyclohexan]-4(6H)-one, 2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-3-(cyclohexylmethyl)- [ACD/Index Name]
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-(cyclohexylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(cyclohexylmethyl)-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclohexane)-4(3H)-one
2-{[2-(4-chlorophenyl)-2-oxoethyl]thio}-3-(cyclohexylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
332024-65-4 [RN]
AC1LUYJ5
AGN-PC-0K79AU
AKOS005460062
IJRCUFQUSFZRLI-UHFFFAOYSA-N
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AG-690/12136813 [DBID]
BAS 00818565 [DBID]
ZINC01867818 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 711.0±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 104.0±3.0 kJ/mol
    Flash Point: 383.8±35.7 °C
    Index of Refraction: 1.677
    Molar Refractivity: 156.4±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 9.85
    ACD/LogD (pH 5.5): 8.25
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 732865.19
    ACD/LogD (pH 7.4): 8.25
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 732865.19
    Polar Surface Area: 75 Å2
    Polarizability: 62.0±0.5 10-24cm3
    Surface Tension: 52.9±7.0 dyne/cm
    Molar Volume: 415.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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