2-[(4-benzyl-3-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)sulfanyl]acetic acid
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![2-[(4-benzyl-3-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)sulfanyl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b897d393c0b14321ae22c09ceb877dd2.png "2-[(4-benzyl-3-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)sulfanyl]acetic acid")
2-[(4-benzyl-3-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)sulfanyl]acetic acid
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CAS No:
351161-78-9
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Formula:
C20H20N2O3S2
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Chemical Name:
2-[(4-benzyl-3-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)sulfanyl]acetic acid
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Synonyms:
Oprea1_253351;MLS001173659;CHEMBL1574589;HMS2883M22;ZINC2270843;STK722381;AKOS003604147;MCULE-7493502309;SMR000538686;EU-0073964;SR-01000454612;SR-01000454612-1;[(3-benzyl-4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetic acid;351161-78-9
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CAS No:
2-[(4-benzyl-3-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)sulfanyl]acetic acid Basic Attributes
400.5 g/mol
400.09153485 g/mol
Computed Properties
Molecular Weight:400.5
XLogP3:4.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:400.09153485
Monoisotopic Mass:400.09153485
Topological Polar Surface Area:124
Heavy Atom Count:27
Complexity:606
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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