AC1NPVU3
[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 9,10,10-trioxothioxanthene-3-carboxylate
Also Known As: [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 9,10,10-trioxothioxanthene-3-carboxylate|T0520-6254|[2-chloro-5-(1-piperidylsulfonyl)phenyl]carbamoylmethyl 9,10,10-trioxothioxanthene-3-carboxylate|2-[2-Chloro-5-(piperidine-1-sulfonyl)anilino]-2-oxoethyl 9,10,10-trioxo-9,10-dihydro-10lambda~6~-thioxanthene-3-carboxylate
| Molecular Formula | C27H23ClN2O8S2 |
|---|---|
| Molecular Weight | 602.0584 g/mol |
| LogP | 3.6873 |
| Topological Polar Surface Area | 143.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 602.0584 |
| Monoisotopic Mass | 602.0584 |
| Heavy Atoms | 40 |
| Complexity | 1764.6744 |
Chemical Identifiers
| CAS Number | 5460-91-3 |
|---|---|
| SMILES | C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O |
Product Overview
AC1NPVU3 (CAS 5460-91-3), with molecular formula C27H23ClN2O8S2 and molecular weight 602.0584 g/mol. IUPAC: [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 9,10,10-trioxothioxanthene-3-carboxylate.
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