 Home > Encyclopedia > 4-benzyl-5-butylsulfanyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one

4-benzyl-5-butylsulfanyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one

4-benzyl-5-butylsulfanyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one structure

CAS No:
351159-84-7
Formula:
C22H26N2OS2
Chemical Name:
4-benzyl-5-butylsulfanyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
Synonyms:
ZINC2271488;STK831082;AKOS001645470;MCULE-6747397101;ST51018350;SR-01000460097;SR-01000460097-1;2-butylthio-3-benzyl-3,5,6,7,8,9-hexahydrocyclohepta[2,1-d]pyrimidino[4,5-b]th iophen-4-one;3-benzyl-2-(butylsulfanyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one;3-benzyl-2-(butylthio)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one;351159-84-7

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4-benzyl-5-butylsulfanyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one Basic Attributes

Molecular Weight：

398.6 g/mol

Exact Mass：

398.14865580 g/mol

Characteristics

PSA：

86.2 Å²

Computed Properties

Molecular Weight:398.6
XLogP3:6.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:398.14865580
Monoisotopic Mass:398.14865580
Topological Polar Surface Area:86.2
Heavy Atom Count:27
Complexity:546
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-benzyl-5-butylsulfanyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one

Basic Attributes
Characteristics
Computed Properties

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