1-[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]piperidine-4-carboxylic acid
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![1-[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]piperidine-4-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2acbb04134c34f759691bd5352a54460.png "1-[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]piperidine-4-carboxylic acid")
1-[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]piperidine-4-carboxylic acid
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CAS No:
731801-03-9
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Formula:
C18H21N3O3S2
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Chemical Name:
1-[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]piperidine-4-carboxylic acid
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Synonyms:
ZINC3291067;AKOS033737097;MCULE-5838693492;SR-01000047986;SR-01000047986-1;Z20226415;1-(2-{8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraen-3-ylsulfanyl}acetyl)piperidine-4-carboxylic acid;731801-03-9
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CAS No:
1-[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]piperidine-4-carboxylic acid Basic Attributes
391.5 g/mol
391.10243389 g/mol
Computed Properties
Molecular Weight:391.5
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:391.10243389
Monoisotopic Mass:391.10243389
Topological Polar Surface Area:137
Heavy Atom Count:26
Complexity:542
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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