| CAS Number | 835598-94-2 |
| Catalog Number | AG01EO42(AGN-PC-0WOJFX) |
| Chemical Name | GLX351322 |
| IUPAC Name | ethyl 2-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| InChI | InChI=1S/C21H25N3O5S/c1-2-28-21(27)18-14-5-3-7-16(14)30-19(18)22-17(25)13-23-8-10-24(11-9-23)20(26)15-6-4-12-29-15/h4,6,12H,2-3,5,7-11,13H2,1H3,(H,22,25) |
| InChI Key | KEVHLTCEMHIJTQ-UHFFFAOYSA-N |
| MDL Number | MFCD05123600 |
| Molecular Formula | C21H25N3O5S |
| Molecular Weight | 431.5053 |
| SMILES | O1C(=CC=C1)C(=O)N1CCN(CC1)CC(=O)NC1=C(C2=C(S1)CCC2)C(=O)OCC |
| Synonyms | GLX351322,
835598-94-2,
ASN 05675840,
AC1MB4ZQ,
SCHEMBL15272557,
ZINC36346367,
AKOS000752436,
HY-100111,
CS-0018088,
Ethyl 2-(2-(4-(furan-2-carbonyl)piperazin-1-yl)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate,
ethyl 2-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate,
CID2697686,
|
| Complexity | 655 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 431.151g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 431.507g/mol |
| Monoisotopic Mass | 431.151g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 120A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number