5-[(3,4-dichlorophenyl)methylsulfanyl]-11-methyl-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
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![5-[(3,4-dichlorophenyl)methylsulfanyl]-11-methyl-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/8b76e34f56da4fcc9e3cf044d1050e5a.png "5-[(3,4-dichlorophenyl)methylsulfanyl]-11-methyl-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one")
5-[(3,4-dichlorophenyl)methylsulfanyl]-11-methyl-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
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CAS No:
351008-39-4
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Formula:
C23H19Cl2N3OS2
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Chemical Name:
5-[(3,4-dichlorophenyl)methylsulfanyl]-11-methyl-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
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Synonyms:
Oprea1_280733;Oprea1_354949;STK829859;ZINC19792465;AKOS003593634;MCULE-8051071079;2-[(3,4-dichlorobenzyl)sulfanyl]-7-methyl-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one;351008-39-4
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CAS No:
5-[(3,4-dichlorophenyl)methylsulfanyl]-11-methyl-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one Basic Attributes
488.5 g/mol
487.0346600 g/mol
Computed Properties
Molecular Weight:488.5
XLogP3:6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:487.0346600
Monoisotopic Mass:487.0346600
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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