 Home > Encyclopedia > 7-(2-chlorophenyl)-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-(2-chlorophenyl)-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-(2-chlorophenyl)-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:
799826-26-9
Formula:
C26H21ClN4S2
Chemical Name:
7-(2-chlorophenyl)-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:
C26H21ClN4S2;ZINC2239531;STK549413;AKOS005477038;5-(2-chlorophenyl)-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;799826-26-9

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7-(2-chlorophenyl)-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：

489.1 g/mol

Exact Mass：

488.0896167 g/mol

Characteristics

PSA：

96.6 Å²

Computed Properties

Molecular Weight:489.1
XLogP3:8.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:488.0896167
Monoisotopic Mass:488.0896167
Topological Polar Surface Area:96.6
Heavy Atom Count:33
Complexity:689
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7-(2-chlorophenyl)-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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