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4-benzyl-5-butylsulfanyl-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
4-benzyl-5-butylsulfanyl-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
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![4-benzyl-5-butylsulfanyl-11-methyl-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/20220812/daeffc3499d046d3b9b893f5f19d9cb3.png "4-benzyl-5-butylsulfanyl-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one")
4-benzyl-5-butylsulfanyl-11-methyl-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:
351341-95-2
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Formula:
C21H25N3OS2
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Chemical Name:
4-benzyl-5-butylsulfanyl-11-methyl-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:
3-benzyl-2-(butylsulfanyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one;STK074762;ZINC20813197;AKOS005391030;MCULE-3234008588;351341-95-2
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CAS No:
4-benzyl-5-butylsulfanyl-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one Basic Attributes
399.6 g/mol
399.14390478 g/mol
Computed Properties
Molecular Weight:399.6
XLogP3:4.5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:399.14390478
Monoisotopic Mass:399.14390478
Topological Polar Surface Area:89.4
Heavy Atom Count:27
Complexity:564
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
- Hot Searches
- carbon disulfide
- ipa structure
- ceria
- ribose 5 phosphate
- 180-93
- glyoxylic acid
Guide of 4-benzyl-5-butylsulfanyl-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
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