 Home > Encyclopedia > 1-(4-bromophenyl)-2-[(7-phenyl-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-bromophenyl)-2-[(7-phenyl-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-bromophenyl)-2-[(7-phenyl-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:
497241-82-4
Formula:
C25H19BrN4OS2
Chemical Name:
1-(4-bromophenyl)-2-[(7-phenyl-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:
C25H19BrN4OS2;ZINC2334789;STK547376;AKOS005475642;MCULE-4757188149;1-(4-bromophenyl)-2-[(5-phenyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]ethanone;497241-82-4

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1-(4-bromophenyl)-2-[(7-phenyl-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：

535.5 g/mol

Exact Mass：

534.01837 g/mol

Characteristics

PSA：

114 Å²

Computed Properties

Molecular Weight:535.5
XLogP3:7.7
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:534.01837
Monoisotopic Mass:534.01837
Topological Polar Surface Area:114
Heavy Atom Count:33
Complexity:702
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(4-bromophenyl)-2-[(7-phenyl-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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