 Home > Encyclopedia > 1-(4-bromophenyl)-2-[(7-butyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)sulfanyl]ethanone

1-(4-bromophenyl)-2-[(7-butyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)sulfanyl]ethanone

1-(4-bromophenyl)-2-[(7-butyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)sulfanyl]ethanone structure

CAS No:
498570-04-0
Formula:
C24H22BrN3OS2
Chemical Name:
1-(4-bromophenyl)-2-[(7-butyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)sulfanyl]ethanone
Synonyms:
ZINC2349974;STK721528;AKOS005529989;MCULE-3781340002;1-(4-bromophenyl)-2-[(4-butyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)sulfanyl]ethanone;498570-04-0

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1-(4-bromophenyl)-2-[(7-butyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)sulfanyl]ethanone Basic Attributes

Molecular Weight：

512.5 g/mol

Exact Mass：

511.03877 g/mol

Characteristics

PSA：

109 Å²

Computed Properties

Molecular Weight:512.5
XLogP3:7.4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:511.03877
Monoisotopic Mass:511.03877
Topological Polar Surface Area:109
Heavy Atom Count:31
Complexity:632
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(4-bromophenyl)-2-[(7-butyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)sulfanyl]ethanone

Basic Attributes
Characteristics
Computed Properties

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