 Home > Encyclopedia > 16-butylsulfanyl-12-(2-phenylethyl)spiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one

16-butylsulfanyl-12-(2-phenylethyl)spiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one

16-butylsulfanyl-12-(2-phenylethyl)spiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one structure

CAS No:
372495-73-3
Formula:
C30H34N4OS
Chemical Name:
16-butylsulfanyl-12-(2-phenylethyl)spiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one
Synonyms:
ZINC2276844;STK525638;AKOS005459540;MCULE-3746043565;1-(butylsulfanyl)-4-(2-phenylethyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one;372495-73-3

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16-butylsulfanyl-12-(2-phenylethyl)spiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one Basic Attributes

Molecular Weight：

498.7 g/mol

Exact Mass：

498.24533289 g/mol

Characteristics

PSA：

76.3 Å²

Computed Properties

Molecular Weight:498.7
XLogP3:7.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:498.24533289
Monoisotopic Mass:498.24533289
Topological Polar Surface Area:76.3
Heavy Atom Count:36
Complexity:818
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 16-butylsulfanyl-12-(2-phenylethyl)spiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one

Basic Attributes
Characteristics
Computed Properties

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