| CAS Number | 1181458-89-8 |
| Catalog Number | AG019V3H |
| Chemical Name | 3-[2-oxo-2-(piperidin-1-yl)ethoxy]-5-phenylthiophene-2-carboxylic acid |
| IUPAC Name | 3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxylic acid |
| InChI | InChI=1S/C18H19NO4S/c20-16(19-9-5-2-6-10-19)12-23-14-11-15(24-17(14)18(21)22)13-7-3-1-4-8-13/h1,3-4,7-8,11H,2,5-6,9-10,12H2,(H,21,22) |
| InChI Key | OGGVOECRHLFWNP-UHFFFAOYSA-N |
| MDL Number | MFCD12197339 |
| Molecular Formula | C18H19NO4S |
| Molecular Weight | 345.4128 |
| SMILES | OC(C1=C(OCC(N2CCCCC2)=O)C=C(C2=CC=CC=C2)S1)=O |
| Synonyms | 3-[2-oxo-2-(piperidin-1-yl)ethoxy]-5-phenylthiophene-2-carboxylic acid,
1181458-89-8,
AC1Q72JZ,
CTK7G3189,
ZINC36378489,
AKOS034477001,
MCULE-9089054168,
NE18750,
EN300-43621,
Z594038324,
|
| Complexity | 446 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 345.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 345.413g/mol |
| Monoisotopic Mass | 345.103g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 95.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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