1-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
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![1-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/9c28f6c380d44aaeb69c0f61de09bdd8.png "1-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid")
1-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
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CAS No:
771509-83-2
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Formula:
C17H21N3O2S
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Chemical Name:
1-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
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Synonyms:
ZINC2875433;AKOS001048229;CCG-193376;MCULE-8923135886;SR-01000293718;SR-01000293718-1;Z56327336;1-{5-methyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-yl}piperidine-4-carboxylic acid;771509-83-2
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CAS No:
1-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid Basic Attributes
331.4 g/mol
331.13544809 g/mol
Computed Properties
Molecular Weight:331.4
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:331.13544809
Monoisotopic Mass:331.13544809
Topological Polar Surface Area:94.6
Heavy Atom Count:23
Complexity:455
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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