 Home > Encyclopedia > 4-benzyl-11-tert-butyl-5-butylsulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

4-benzyl-11-tert-butyl-5-butylsulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

4-benzyl-11-tert-butyl-5-butylsulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one structure

CAS No:
371959-04-5
Formula:
C24H31N3OS2
Chemical Name:
4-benzyl-11-tert-butyl-5-butylsulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Synonyms:
STK525717;ZINC20828972;AKOS005459307;MCULE-5377105901;3-benzyl-7-tert-butyl-2-(butylsulfanyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one;371959-04-5

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4-benzyl-11-tert-butyl-5-butylsulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one Basic Attributes

Molecular Weight：

441.7 g/mol

Exact Mass：

441.19085497 g/mol

Characteristics

PSA：

89.4 Å²

Computed Properties

Molecular Weight:441.7
XLogP3:5.5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:441.19085497
Monoisotopic Mass:441.19085497
Topological Polar Surface Area:89.4
Heavy Atom Count:30
Complexity:641
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-benzyl-11-tert-butyl-5-butylsulfanyl-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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