ChemSpider 2D Image | 2-{[2-(4-Bromophenyl)-2-oxoethyl]sulfanyl}-3-(cyclohexylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one | C32H35BrN2O2S

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

  • Molecular FormulaC32H35BrN2O2S
  • Average mass591.602 Da
  • Monoisotopic mass590.160278 Da
  • ChemSpider ID1298484

More details:

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

2-{[2-(4-Bromophenyl)-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-bromophenyl)-2-oxoethyl]thio]-3-(cyclohexylmethyl)- [ACD/Index Name]
2-[2-(4-BROMOPHENYL)-2-OXOETHYL]SULFANYL-3-(CYCLOHEXYLMETHYL)SPIRO[6H-BENZO[H]QUINAZOLINE-5,1'-CYCLOHEXANE]-4-ONE

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

BAS 01312883 [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: 722.4±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 105.5±3.0 kJ/mol
    Flash Point: 390.7±35.7 °C
    Index of Refraction: 1.687
    Molar Refractivity: 159.3±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 9.93
    ACD/LogD (pH 5.5): 8.35
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 831955.75
    ACD/LogD (pH 7.4): 8.35
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 831955.75
    Polar Surface Area: 75 Å2
    Polarizability: 63.2±0.5 10-24cm3
    Surface Tension: 54.0±7.0 dyne/cm
    Molar Volume: 418.4±7.0 cm3

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