Found 1 result

Search term: TXZDDRHJALNORG (Found by InChIKey (skeleton match))
ChemSpider 2D Image | spiro[6H,7H-benzo[a]pyrido[1',2':1,2]pyrimido[4,5-f]quinolizine-5(15H),5'(4'H)-pyrimidine]-4',6',7(1'H)-trione, 1'-hexyl-4b,16-dihydro-2'-hydroxy-12-methyl- | C29H31N5O4

spiro[6H,7H-benzo[a]pyrido[1',2':1,2]pyrimido[4,5-f]quinolizine-5(15H),5'(4'H)-pyrimidine]-4',6',7(1'H)-trione, 1'-hexyl-4b,16-dihydro-2'-hydroxy-12-methyl-

  • Molecular FormulaC29H31N5O4
  • Average mass513.588 Da
  • Monoisotopic mass513.237610 Da
  • ChemSpider ID4156499

More details:

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

1'-Hexyl-12-methyl-15,16-dihydro-2'H,4bH,6H,7H-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-2',4',6',7(1'H,3'H)-tetrone [ACD/IUPAC Name]
Spiro[6H,7H-benzo[a]pyrido[1',2':1,2]pyrimido[4,5-f]quinolizine-5(15H),5'(2'H)-pyrimidine]-2',4',6',7(1'H,3'H)-tetrone, 1'-hexyl-4b,16-dihydro-12-methyl- [ACD/Index Name]
spiro[6H,7H-benzo[a]pyrido[1',2':1,2]pyrimido[4,5-f]quinolizine-5(15H),5'(4'H)-pyrimidine]-4',6',7(1'H)-trione, 1'-hexyl-4b,16-dihydro-2'-hydroxy-12-methyl-
1'-hexyl-12-methyl-15,16-dihydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-2',4',6',7(3'H,6H)-tetraone
1'-hexyl-2'-hydroxy-12-methyl-15,16-dihydro-4'H,4bH,6H,7H-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-4',6',7(1'H)-trione
879467-18-2 [RN]

    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: 1.716
    Molar Refractivity: 142.5±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 2
    ACD/LogP: 7.30
    ACD/LogD (pH 5.5): 5.89
    ACD/BCF (pH 5.5): 15976.55
    ACD/KOC (pH 5.5): 31423.38
    ACD/LogD (pH 7.4): 6.04
    ACD/BCF (pH 7.4): 22551.76
    ACD/KOC (pH 7.4): 44355.78
    Polar Surface Area: 102 Å2
    Polarizability: 56.5±0.5 10-24cm3
    Surface Tension: 60.4±7.0 dyne/cm
    Molar Volume: 362.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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