 Home > Encyclopedia > 1-(4-chlorophenyl)-2-[(7-ethyl-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-chlorophenyl)-2-[(7-ethyl-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-chlorophenyl)-2-[(7-ethyl-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:
498571-56-5
Formula:
C21H19ClN4OS2
Chemical Name:
1-(4-chlorophenyl)-2-[(7-ethyl-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:
C21H19ClN4OS2;ZINC2351149;STK546566;AKOS005474985;MCULE-3115034713;1-(4-chlorophenyl)-2-[(5-ethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]ethanone;498571-56-5

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1-(4-chlorophenyl)-2-[(7-ethyl-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：

443.0 g/mol

Exact Mass：

442.0688813 g/mol

Characteristics

PSA：

114 Å²

Computed Properties

Molecular Weight:443.0
XLogP3:6.8
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:442.0688813
Monoisotopic Mass:442.0688813
Topological Polar Surface Area:114
Heavy Atom Count:29
Complexity:605
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(4-chlorophenyl)-2-[(7-ethyl-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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