 Home > Encyclopedia > 2-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

2-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

2-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one structure

CAS No:
571920-48-4
Formula:
C22H23F3N4O3S2
Chemical Name:
2-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Synonyms:
SMR000243047;MLS000402268;MLS003912032;CHEMBL1341034;HMS2524A05;ZINC21486412;AKOS001073867;MCULE-2680592779;Z44547150;5-({4-[2-(trifluoromethyl)benzenesulfonyl]piperazin-1-yl}methyl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one;571920-48-4

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2-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Basic Attributes

Molecular Weight：

512.6 g/mol

Exact Mass：

512.11636744 g/mol

Characteristics

PSA：

119 Å²

Computed Properties

Molecular Weight:512.6
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:4
Exact Mass:512.11636744
Monoisotopic Mass:512.11636744
Topological Polar Surface Area:119
Heavy Atom Count:34
Complexity:915
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Basic Attributes
Characteristics
Computed Properties

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