 Home > Encyclopedia > 5-benzylsulfanyl-4-phenyl-11-propan-2-yl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

5-benzylsulfanyl-4-phenyl-11-propan-2-yl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

5-benzylsulfanyl-4-phenyl-11-propan-2-yl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one structure

CAS No:
372090-01-2
Formula:
C25H25N3OS2
Chemical Name:
5-benzylsulfanyl-4-phenyl-11-propan-2-yl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Synonyms:
Oprea1_281083;STK526264;ZINC20840645;AKOS002843791;MCULE-6816782459;2-(benzylsulfanyl)-3-phenyl-7-(propan-2-yl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one;372090-01-2

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5-benzylsulfanyl-4-phenyl-11-propan-2-yl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one Basic Attributes

Molecular Weight：

447.6 g/mol

Exact Mass：

447.14390478 g/mol

Characteristics

PSA：

89.4 Å²

Computed Properties

Molecular Weight:447.6
XLogP3:5.6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:447.14390478
Monoisotopic Mass:447.14390478
Topological Polar Surface Area:89.4
Heavy Atom Count:31
Complexity:672
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-benzylsulfanyl-4-phenyl-11-propan-2-yl-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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