 Home > Encyclopedia > ethyl 2-[[5-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate

ethyl 2-[[5-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate

ethyl 2-[[5-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate structure

CAS No:
308298-13-7
Formula:
C22H21N5O3S3
Chemical Name:
ethyl 2-[[5-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate
Synonyms:
308298-13-7;ethyl [(5-{[(4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate;SMR000135619;MLS000530641;ethyl [(5-{[(4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetate;ChemDiv1_004969;MLS001384996;CHEMBL1413684;HMS601B19;HMS2423M03;ZINC8670884;CCG-17342;STL079715;AKOS001057775;MCULE-8183441964;EU-0073012;ST50032213;AF-399/37411016;SR-01000445727;SR-01000445727-1;Z56915365;F0829-0003;ethyl 2-((5-(((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetate;Ethyl 2-[[5-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate;ethyl 2-{5-[(4-oxo(3,5,6,7-tetrahydrocyclopenta[1,2-d]pyrimidino[4,5-b]thiophe n-2-ylthio))methyl]-4-phenyl-1,2,4-triazol-3-ylthio}acetate

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ethyl 2-[[5-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Basic Attributes

Molecular Weight：

499.6 g/mol

Exact Mass：

499.08065307 g/mol

Characteristics

PSA：

177 Å²

Computed Properties

Molecular Weight:499.6
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:9
Exact Mass:499.08065307
Monoisotopic Mass:499.08065307
Topological Polar Surface Area:177
Heavy Atom Count:33
Complexity:766
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 2-[[5-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate

Basic Attributes
Characteristics
Computed Properties
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