 Home > Encyclopedia > 5-[(4-bromophenyl)methylsulfanyl]-4-(3-chlorophenyl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

5-[(4-bromophenyl)methylsulfanyl]-4-(3-chlorophenyl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

5-[(4-bromophenyl)methylsulfanyl]-4-(3-chlorophenyl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one structure

CAS No:
585552-98-3
Formula:
C23H19BrClN3OS2
Chemical Name:
5-[(4-bromophenyl)methylsulfanyl]-4-(3-chlorophenyl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Synonyms:
STK720649;ZINC97953990;AKOS005529603;MCULE-2964708944;2-[(4-bromobenzyl)sulfanyl]-3-(3-chlorophenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one;585552-98-3

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5-[(4-bromophenyl)methylsulfanyl]-4-(3-chlorophenyl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one Basic Attributes

Molecular Weight：

532.9 g/mol

Exact Mass：

530.98414 g/mol

Characteristics

PSA：

89.4 Å²

Computed Properties

Molecular Weight:532.9
XLogP3:6.1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:530.98414
Monoisotopic Mass:530.98414
Topological Polar Surface Area:89.4
Heavy Atom Count:31
Complexity:704
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-[(4-bromophenyl)methylsulfanyl]-4-(3-chlorophenyl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

Basic Attributes
Characteristics
Computed Properties

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