2-Amino-4,7-dihydro-5H-thieno[2,3-c]pyridine-3,6-dicarboxylic Acid Di-tert-butyl Ester - CAS 474843-69-1
Catalog: |
BB074291 |
Product Name: |
2-Amino-4,7-dihydro-5H-thieno[2,3-c]pyridine-3,6-dicarboxylic Acid Di-tert-butyl Ester |
CAS: |
474843-69-1 |
Synonyms: |
2-Amino-4,7-dihydro-5H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid di-tert-butyl ester; ditert-butyl 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate; 3,6-di-tert-butyl 2-amino-4H,5H,6H,7H-thieno[2,3-c]pyridine-3,6-dicarboxylate |
IUPAC Name: | ditert-butyl 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate |
Molecular Weight: | 354.46 |
Molecular Formula: | C17H26N2O4S |
Canonical SMILES: | CC(C)(C)OC(=O)C1=C(SC2=C1CCN(C2)C(=O)OC(C)(C)C)N |
InChI: | InChI=1S/C17H26N2O4S/c1-16(2,3)22-14(20)12-10-7-8-19(9-11(10)24-13(12)18)15(21)23-17(4,5)6/h7-9,18H2,1-6H3 |
InChI Key: | PNNUJPFKUDXJCP-UHFFFAOYSA-N |
Complexity: | 498 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 354.16132849 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 354.16132849 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 110Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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