4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxylic acid
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![4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/8fdd3dc02aec4c9ca33a2ab5803f05bd.png "4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxylic acid")
4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxylic acid
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CAS No:
730949-92-5
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Formula:
C13H14N2O3S
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Chemical Name:
4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxylic acid
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Synonyms:
3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxylic acid;730949-92-5;4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.0,3,7]tetradeca-3(7),4,8-triene-5-carboxylic acid;SMR000155044;MLS000569413;CHEMBL1326279;HMS2331J04;ZINC3278043;AKOS001764080;CCG-125152;MCULE-3676797575;NE27722;EN300-08282;SR-01000119120;SR-01000119120-1;Z56943445;3-Methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxylic acid, AldrichCPR;4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.0?,?]tetradeca-3(7),4,8-triene-5-carboxylic acid;4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.0^{3,7}]tetradeca-3(7),4,8-triene-5-carboxylic acid;4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxylic acid
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CAS No:
4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxylic acid Basic Attributes
278.33 g/mol
278.07251349 g/mol
Computed Properties
Molecular Weight:278.33
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:278.07251349
Monoisotopic Mass:278.07251349
Topological Polar Surface Area:98.2
Heavy Atom Count:19
Complexity:451
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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