 Home > Encyclopedia > 5-ethylsulfanyl-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-ethylsulfanyl-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-ethylsulfanyl-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:
372171-40-9
Formula:
C20H23N3OS2
Chemical Name:
5-ethylsulfanyl-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_701854;MLS001173590;CHEMBL1475340;HMS2866F20;STK524978;ZINC20841067;AKOS002843983;MCULE-2150879932;SMR000538710;2-(ethylsulfanyl)-3-phenyl-7-(propan-2-yl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one;372171-40-9

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5-ethylsulfanyl-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：

385.6 g/mol

Exact Mass：

385.12825471 g/mol

Characteristics

PSA：

89.4 Å²

Water Solubility：

37 [ug/mL]

Computed Properties

Molecular Weight:385.6
XLogP3:4.5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:385.12825471
Monoisotopic Mass:385.12825471
Topological Polar Surface Area:89.4
Heavy Atom Count:26
Complexity:561
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-ethylsulfanyl-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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