 Home > Encyclopedia > 1-(4-acetylphenyl)-2-[(7-amino-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]ethanone

1-(4-acetylphenyl)-2-[(7-amino-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]ethanone

1-(4-acetylphenyl)-2-[(7-amino-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]ethanone structure

CAS No:
846594-89-6
Formula:
C21H19N5O2S2
Chemical Name:
1-(4-acetylphenyl)-2-[(7-amino-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]ethanone
Synonyms:
ZINC2404444;STL234338;AKOS025274243;MCULE-2089781919;1-(4-acetylphenyl)-2-[(5-amino-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]ethanone;846594-89-6

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1-(4-acetylphenyl)-2-[(7-amino-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]ethanone Basic Attributes

Molecular Weight：

437.5 g/mol

Exact Mass：

437.09801721 g/mol

Characteristics

PSA：

157 Å²

Computed Properties

Molecular Weight:437.5
XLogP3:4.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:437.09801721
Monoisotopic Mass:437.09801721
Topological Polar Surface Area:157
Heavy Atom Count:30
Complexity:674
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(4-acetylphenyl)-2-[(7-amino-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]ethanone

Basic Attributes
Characteristics
Computed Properties

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