AC1O79YE
2-[(1S,3R,3aR,6aS)-5-(3,4-dichlorophenyl)-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide
Also Known As: 2-((1'R,3'S,3a'S,6a'R)-5'-(3,4-dichlorophenyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)acetamide|2-[(1S,3R,3aR,6aS)-5-(3,4-dichlorophenyl)-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide|2-[(3R,3'S,3a'S,6a'R)-5'-(3,4-dichlorophenyl)-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]acetamide
| Molecular Formula | C21H16Cl2N4O4 |
|---|---|
| Molecular Weight | 458.05487 g/mol |
| LogP | 1.7938 |
| Topological Polar Surface Area | 121.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 458.05487 |
| Monoisotopic Mass | 458.05487 |
| Heavy Atoms | 31 |
| Complexity | 1185.7197 |
Chemical Identifiers
| CAS Number | 1014091-75-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)[C@]3([C@H]4[C@@H]([C@@H](N3)CC(=O)N)C(=O)N(C4=O)C5=CC(=C(C=C5)Cl)Cl)C(=O)N2 |
Product Overview
AC1O79YE (CAS 1014091-75-8), with molecular formula C21H16Cl2N4O4 and molecular weight 458.05487 g/mol. IUPAC: 2-[(1S,3R,3aR,6aS)-5-(3,4-dichlorophenyl)-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide.