 Home > Encyclopedia > 12-(2-bromoprop-2-enylsulfanyl)-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene

12-(2-bromoprop-2-enylsulfanyl)-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene

12-(2-bromoprop-2-enylsulfanyl)-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene structure

CAS No:
500269-99-8
Formula:
C21H16BrN3S2
Chemical Name:
12-(2-bromoprop-2-enylsulfanyl)-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene
Synonyms:
C21H16BrN3S2;STK544630;ZINC13597224;AKOS005473870;MCULE-5733295592;500269-99-8;7-[(2-bromoprop-2-en-1-yl)sulfanyl]-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine

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12-(2-bromoprop-2-enylsulfanyl)-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene Basic Attributes

Molecular Weight：

454.4 g/mol

Exact Mass：

452.99690 g/mol

Characteristics

PSA：

92.2 Å²

Computed Properties

Molecular Weight:454.4
XLogP3:6.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:452.99690
Monoisotopic Mass:452.99690
Topological Polar Surface Area:92.2
Heavy Atom Count:27
Complexity:556
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 12-(2-bromoprop-2-enylsulfanyl)-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene

Basic Attributes
Characteristics
Computed Properties

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