4-bromo-7-methyl-3-thia-7,10,11-triazatricyclo[6.4.0.0²,⁶]dodeca-1(8),2(6),4,11-tetraen-9-one - CAS 1221186-56-6
Catalog: |
BB005339 |
Product Name: |
4-bromo-7-methyl-3-thia-7,10,11-triazatricyclo[6.4.0.0²,⁶]dodeca-1(8),2(6),4,11-tetraen-9-one |
CAS: |
1221186-56-6 |
Synonyms: |
4-bromo-7-methyl-3-thia-7,10,11-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),4,11-tetraen-9-one; 4-bromo-7-methyl-3-thia-7,10,11-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),4,11-tetraen-9-one |
IUPAC Name: | 4-bromo-7-methyl-3-thia-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one |
Description: | 4-bromo-7-methyl-3-thia-7,10,11-triazatricyclo[6.4.0.0²,⁶]dodeca-1(8),2(6),4,11-tetraen-9-one (CAS# 1221186-56-6) is a useful research chemical compound. |
Molecular Weight: | 284.131 |
Molecular Formula: | C9H6BrN3OS |
Canonical SMILES: | CN1C2=C(C3=C1C(=O)NN=C3)SC(=C2)Br |
InChI: | InChI=1S/C9H6BrN3OS/c1-13-5-2-6(10)15-8(5)4-3-11-12-9(14)7(4)13/h2-3H,1H3,(H,12,14) |
InChI Key: | LURUPZWERKCJOR-UHFFFAOYSA-N |
LogP: | 2.65110 |
Publication Number | Title | Priority Date |
WO-2020167976-A1 | Thieno[3,2-b] pyrrole[3,2-d]pyridazinone derivatives and their use as pkm2 derivatives for the treatment of cancer, obesity and diabetes related disorders | 20190213 |
AU-2016216705-B2 | Activators of human pyruvate kinase | 20081009 |
CA-2740148-A1 | Activators of human pyruvate kinase | 20081009 |
EP-3173415-A2 | Activators of human pyruvate kinase | 20081009 |
EP-3173415-B1 | Activators of human pyruvate kinase | 20081009 |
Complexity: | 337 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 282.9415 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 282.9415 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 74.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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