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

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

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

CAS No:
351008-58-7
Formula:
C27H29N3OS2
Chemical Name:
11-benzyl-5-(3-methylbutylsulfanyl)-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Synonyms:
Oprea1_729913;STL296616;ZINC20828672;AKOS001776512;MCULE-5550253458;351008-58-7;7-benzyl-2-[(3-methylbutyl)sulfanyl]-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one;7-benzyl-2-[(3-methylbutyl)thio]-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one

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

Molecular Weight：

475.7 g/mol

Exact Mass：

475.17520490 g/mol

Characteristics

PSA：

89.4 Å²

Computed Properties

Molecular Weight:475.7
XLogP3:6.5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:475.17520490
Monoisotopic Mass:475.17520490
Topological Polar Surface Area:89.4
Heavy Atom Count:33
Complexity:702
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 11-benzyl-5-(3-methylbutylsulfanyl)-4-phenyl-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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