2-[(12-ethyl-12-methyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetic acid
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![2-[(12-ethyl-12-methyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/917135c9244b490b9a7e12002d42d004.png "2-[(12-ethyl-12-methyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetic acid")
2-[(12-ethyl-12-methyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetic acid
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CAS No:
330220-57-0
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Formula:
C14H16N2O4S2
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Chemical Name:
2-[(12-ethyl-12-methyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetic acid
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Synonyms:
MLS000031508;CHEMBL1421640;HMS2470K20;STK612091;AKOS000549641;AKOS005547290;MCULE-3638614592;NCGC00034979-02;SMR000011305;SR-01000317297;SR-01000317297-1;(6-Ethyl-6-methyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-ylsulfanyl)-acetic acid;[(6-ethyl-4-hydroxy-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetic acid;330220-57-0
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CAS No:
2-[(12-ethyl-12-methyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetic acid Basic Attributes
340.4 g/mol
340.05514934 g/mol
Computed Properties
Molecular Weight:340.4
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:340.05514934
Monoisotopic Mass:340.05514934
Topological Polar Surface Area:142
Heavy Atom Count:22
Complexity:527
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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