 Home > Encyclopedia > ethyl 2-(12-benzyl-11-oxospiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-16-yl)sulfanylacetate

ethyl 2-(12-benzyl-11-oxospiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-16-yl)sulfanylacetate

ethyl 2-(12-benzyl-11-oxospiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-16-yl)sulfanylacetate structure

CAS No:
374082-85-6
Formula:
C29H30N4O3S
Chemical Name:
ethyl 2-(12-benzyl-11-oxospiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-16-yl)sulfanylacetate
Synonyms:
ChemDiv1_008837;Oprea1_599455;HMS612B15;ZINC2282225;STK831344;AKOS001658581;MCULE-2682415362;EU-0010222;SR-01000480716;SR-01000480716-1;374082-85-6;ethyl [(4-benzyl-5-oxo-5,7-dihydro-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-1-yl)sulfanyl]acetate;ethyl [(4-benzyl-5-oxo-5,7-dihydro-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-1-yl)thio]acetate

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ethyl 2-(12-benzyl-11-oxospiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-16-yl)sulfanylacetate Basic Attributes

Molecular Weight：

514.6 g/mol

Exact Mass：

514.20386201 g/mol

Characteristics

PSA：

103 Å²

Computed Properties

Molecular Weight:514.6
XLogP3:5.9
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:514.20386201
Monoisotopic Mass:514.20386201
Topological Polar Surface Area:103
Heavy Atom Count:37
Complexity:898
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 2-(12-benzyl-11-oxospiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-16-yl)sulfanylacetate

Basic Attributes
Characteristics
Computed Properties
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