 Home > Encyclopedia > 7-methylsulfanyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene

7-methylsulfanyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene

7-methylsulfanyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene structure

CAS No:
799823-81-7
Formula:
C21H20N4S3
Chemical Name:
7-methylsulfanyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Synonyms:
ZINC2236843;STK720415;AKOS005529020;5-(methylsulfanyl)-3-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine;799823-81-7

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7-methylsulfanyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene Basic Attributes

Molecular Weight：

424.6 g/mol

Exact Mass：

424.08501018 g/mol

Characteristics

PSA：

122 Å²

Computed Properties

Molecular Weight:424.6
XLogP3:6.9
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:424.08501018
Monoisotopic Mass:424.08501018
Topological Polar Surface Area:122
Heavy Atom Count:28
Complexity:556
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7-methylsulfanyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene

Basic Attributes
Characteristics
Computed Properties

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