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

CAS No:
370071-22-0
Formula:
C22H27N3OS2
Chemical Name:
4-benzyl-5-butylsulfanyl-11-ethyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Synonyms:
3-benzyl-2-(butylsulfanyl)-7-ethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one;STK026641;ZINC20058039;AKOS005380341;MCULE-2347756991;370071-22-0

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

Molecular Weight：

413.6 g/mol

Exact Mass：

413.15955484 g/mol

Characteristics

PSA：

89.4 Å²

Computed Properties

Molecular Weight:413.6
XLogP3:4.9
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:413.15955484
Monoisotopic Mass:413.15955484
Topological Polar Surface Area:89.4
Heavy Atom Count:28
Complexity:578
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-benzyl-5-butylsulfanyl-11-ethyl-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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