MLS000552598
ethyl (1S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-(3,4-dichlorophenyl)-3,8a-dihydro-2H-indolizine-1-carboxylate
Also Known As: (1S,2R,3R,8aS)-ethyl 6-acetyl-3-carbamoyl-1-cyano-2-(3,4-dichlorophenyl)-1,2,3,8a-tetrahydroindolizine-1-carboxylate|(1S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-(3,4-dichlorophenyl)-3,8a-dihydro-2H-indolizine-1-carboxylic acid ethyl ester|ethyl (1S,3R,8aS)-3-aminocarbonyl-1-cyano-2-(3,4-dichlorophenyl)-6-ethanoyl-3,8a-dihydro-2H-indolizine-1-carboxylate|ethyl (1S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-(3,4-dichlorophenyl)-3,8a-dihydro-2H-indolizine-1-carboxylate
| Molecular Formula | C21H19Cl2N3O4 |
|---|---|
| Molecular Weight | 447.07526 g/mol |
| LogP | 2.73088 |
| Topological Polar Surface Area | 113.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.07526 |
| Monoisotopic Mass | 447.07526 |
| Heavy Atoms | 30 |
| Complexity | 1029.5681 |
Chemical Identifiers
| CAS Number | 302901-82-2 |
|---|---|
| SMILES | CCOC(=O)[C@@]1([C@@H]2C=CC(=CN2[C@H](C1C3=CC(=C(C=C3)Cl)Cl)C(=O)N)C(=O)C)C#N |
Product Overview
MLS000552598 (CAS 302901-82-2), with molecular formula C21H19Cl2N3O4 and molecular weight 447.07526 g/mol. IUPAC: ethyl (1S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-(3,4-dichlorophenyl)-3,8a-dihydro-2H-indolizine-1-carboxylate.
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