tert-Butyl 4-(5-formyl-2-thienyl)piperazine-1-carboxylate - CAS 623588-30-7
Catalog: |
BB031554 |
Product Name: |
tert-Butyl 4-(5-formyl-2-thienyl)piperazine-1-carboxylate |
CAS: |
623588-30-7 |
Synonyms: |
tert-butyl 4-(5-formylthiophen-2-yl)piperazine-1-carboxylate |
IUPAC Name: | tert-butyl 4-(5-formylthiophen-2-yl)piperazine-1-carboxylate |
Description: | tert-Butyl 4-(5-formyl-2-thienyl)piperazine-1-carboxylate (CAS# 623588-30-7) is a useful research chemical. |
Molecular Weight: | 296.39 |
Molecular Formula: | C14H20N2O3S |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(S2)C=O |
InChI: | InChI=1S/C14H20N2O3S/c1-14(2,3)19-13(18)16-8-6-15(7-9-16)12-5-4-11(10-17)20-12/h4-5,10H,6-9H2,1-3H3 |
InChI Key: | OHGKLOGHIWWLSX-UHFFFAOYSA-N |
Boiling Point: | 449.9 °C at 760 mmHg |
Density: | 1.229 g/cm3 |
MDL: | MFCD09055398 |
LogP: | 2.62060 |
Publication Number | Title | Priority Date |
EP-2488519-A1 | Pyrazolopyridine derivatives as anticancer agent | 20091013 |
EP-2488519-B1 | Pyrazolopyridine derivatives as anticancer agent | 20091013 |
US-2012245170-A1 | Pyrazolopyridine derivatives as anticancer agent | 20091013 |
US-8889711-B2 | Pyrazolopyridine derivatives as anticancer agent | 20091013 |
WO-2011045344-A1 | Pyrazolopyridine derivatives as anticancer agent | 20091013 |
Complexity: | 362 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 296.11946368 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 296.11946368 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 78.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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