ChemSpider 2D Image | 2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}-3-(cyclopentylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one | C31H33ClN2O2S

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

  • Molecular FormulaC31H33ClN2O2S
  • Average mass533.124 Da
  • Monoisotopic mass532.195129 Da
  • ChemSpider ID1395069

More details:

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

2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}-3-(cyclopentylmethyl)-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-(cyclopentylmethyl)- [ACD/Index Name]
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-(cyclopentylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(cyclopentylmethyl)-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclohexane)-4(3H)-one
2-{[2-(4-chlorophenyl)-2-oxoethyl]thio}-3-(cyclopentylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
327167-36-2 [RN]
AC1LXDAD
AGN-PC-0K90JU
AKOS001656375
FUIADPODHFZLOZ-UHFFFAOYSA-N
More...

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

AL-281/11337025 [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: 702.0±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 102.7±3.0 kJ/mol
    Flash Point: 378.3±35.7 °C
    Index of Refraction: 1.686
    Molar Refractivity: 151.8±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 9.29
    ACD/LogD (pH 5.5): 7.75
    ACD/BCF (pH 5.5): 454107.69
    ACD/KOC (pH 5.5): 389911.66
    ACD/LogD (pH 7.4): 7.75
    ACD/BCF (pH 7.4): 454107.69
    ACD/KOC (pH 7.4): 389911.66
    Polar Surface Area: 75 Å2
    Polarizability: 60.2±0.5 10-24cm3
    Surface Tension: 53.8±7.0 dyne/cm
    Molar Volume: 399.1±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement