AC1NXOJN
3-[(5Z)-5-[1-[2-(4-chloroanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: SALOR-INT L425036-1EA|3-((5Z)-5-{1-[2-(4-CHLOROANILINO)-2-OXOETHYL]-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE}-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)PROPANOIC ACID|3-[(5Z)-5-(1-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid|3-[(5Z)-5-[1-[2-(4-chloroanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
| Molecular Formula | C22H16ClN3O5S2 |
|---|---|
| Molecular Weight | 501.022 g/mol |
| LogP | 3.3714 |
| Topological Polar Surface Area | 107.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 501.022 |
| Monoisotopic Mass | 501.022 |
| Heavy Atoms | 33 |
| Complexity | 1228.792 |
Chemical Identifiers
| CAS Number | 618075-47-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)/C(=C/3\C(=O)N(C(=S)S3)CCC(=O)O)/C(=O)N2CC(=O)NC4=CC=C(C=C4)Cl |
Product Overview
AC1NXOJN (CAS 618075-47-1), with molecular formula C22H16ClN3O5S2 and molecular weight 501.022 g/mol. IUPAC: 3-[(5Z)-5-[1-[2-(4-chloroanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
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