tert-butyl 4-(2-methoxy-2-oxoethyl)-5-methyl-6H-thieno[2,3-b]pyrrole-6-carboxylate - CAS 1179808-94-6
Catalog: |
BB004035 |
Product Name: |
tert-butyl 4-(2-methoxy-2-oxoethyl)-5-methyl-6H-thieno[2,3-b]pyrrole-6-carboxylate |
CAS: |
1179808-94-6 |
Synonyms: |
4-(2-methoxy-2-oxoethyl)-5-methyl-6-thieno[2,3-b]pyrrolecarboxylic acid tert-butyl ester; tert-butyl 4-(2-methoxy-2-oxoethyl)-5-methylthieno[2,3-b]pyrrole-6-carboxylate |
IUPAC Name: | tert-butyl 4-(2-methoxy-2-oxoethyl)-5-methylthieno[2,3-b]pyrrole-6-carboxylate |
Description: | tert-butyl 4-(2-methoxy-2-oxoethyl)-5-methyl-6H-thieno[2,3-b]pyrrole-6-carboxylate (CAS# 1179808-94-6 ) is a useful research chemical. |
Molecular Weight: | 309.38 |
Molecular Formula: | C15H19NO4S |
Canonical SMILES: | CC1=C(C2=C(N1C(=O)OC(C)(C)C)SC=C2)CC(=O)OC |
InChI: | InChI=1S/C15H19NO4S/c1-9-11(8-12(17)19-5)10-6-7-21-13(10)16(9)14(18)20-15(2,3)4/h6-7H,8H2,1-5H3 |
InChI Key: | MCWKDIJSGPWCEO-UHFFFAOYSA-N |
LogP: | 3.50990 |
Publication Number | Title | Priority Date |
US-2009209609-A1 | Thienopyrroles and pyrrolothiazoles as new therapeutic agents | 20080215 |
US-8101645-B2 | Thienopyrroles and pyrrolothiazoles as new therapeutic agents | 20080215 |
WO-2009102462-A1 | Thienopyrroles and pyrrolothiazoles as new therapeutic agents | 20080215 |
Complexity: | 420 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 309.10347926 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 309.10347926 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 85.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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