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

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

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

CAS No:
573938-53-1
Formula:
C25H25N3O2S2
Chemical Name:
5-benzylsulfanyl-4-(4-ethoxyphenyl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Synonyms:
STK829863;ZINC20291895;AKOS001492037;MCULE-9058832914;2-(benzylsulfanyl)-3-(4-ethoxyphenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one;2-(benzylthio)-3-(4-ethoxyphenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one;573938-53-1

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

Molecular Weight：

463.6 g/mol

Exact Mass：

463.13881940 g/mol

Characteristics

PSA：

98.7 Å²

Computed Properties

Molecular Weight:463.6
XLogP3:5.1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:463.13881940
Monoisotopic Mass:463.13881940
Topological Polar Surface Area:98.7
Heavy Atom Count:32
Complexity:691
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-benzylsulfanyl-4-(4-ethoxyphenyl)-11-methyl-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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