3-((2-Oxo-5-(trifluoromethyl)-1,2-dihydrothiazolo[5,4-d]pyrimidin-7-yl)thio)propanoic Acid
Catalog: |
BB056713 |
Product Name: |
3-((2-Oxo-5-(trifluoromethyl)-1,2-dihydrothiazolo[5,4-d]pyrimidin-7-yl)thio)propanoic Acid |
Synonyms: |
3-((2-Oxo-5-(trifluoromethyl)-1,2-dihydrothiazolo[5,4-d]pyrimidin-7-yl)thio)propanoic acid; 3-{[2-oxo-5-(trifluoromethyl)-1H,2H-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]sulfanyl}propanoic acid |
IUPAC Name: | 3-[[2-oxo-5-(trifluoromethyl)-1H-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]sulfanyl]propanoic acid |
Molecular Weight: | 325.29 |
Molecular Formula: | C9H6F3N3O3S2 |
Canonical SMILES: | C(CSC1=NC(=NC2=C1NC(=O)S2)C(F)(F)F)C(=O)O |
InChI: | InChI=1S/C9H6F3N3O3S2/c10-9(11,12)7-14-5(19-2-1-3(16)17)4-6(15-7)20-8(18)13-4/h1-2H2,(H,13,18)(H,16,17) |
InChI Key: | ZZDFCZZIOYKNIF-UHFFFAOYSA-N |
Complexity: | 410 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 324.9802679 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 10 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 324.9802679 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 143Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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