2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetic acid
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![2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/077cf21df832467099998c50e8490fc7.png "2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetic acid")
2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetic acid
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CAS No:
356587-42-3
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Formula:
C17H14N2O3S2
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Chemical Name:
2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetic acid
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Synonyms:
Oprea1_374630;MLS000776726;CHEMBL1341013;HMS2753B22;ZINC2314786;MFCD00484395;SBB042988;STL072268;AKOS000269241;MCULE-9651793408;SMR000413125;(4-Oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-ylsulfanyl)-acetic acid;[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetic acid;2-(4-oxo-3-phenyl-3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[4,5-b]thiophen -2-ylthio)acetic acid;356587-42-3
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CAS No:
2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetic acid Basic Attributes
358.4 g/mol
358.04458466 g/mol
Computed Properties
Molecular Weight:358.4
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:358.04458466
Monoisotopic Mass:358.04458466
Topological Polar Surface Area:124
Heavy Atom Count:24
Complexity:562
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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