AC1NELYM
3-O'-tert-butyl 5-O'-propan-2-yl 2'-amino-5-bromo-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
Also Known As: Oprea1_402892|3'-tert-butyl 5'-propan-2-yl 2'-amino-5-bromo-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate|3'-tert-butyl 5'-isopropyl 2'-amino-5-bromo-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate|3-O'-tert-butyl 5-O'-propan-2-yl 2'-amino-5-bromo-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
| Molecular Formula | C22H25BrN2O6 |
|---|---|
| Molecular Weight | 492.0896 g/mol |
| LogP | 3.4068 |
| Topological Polar Surface Area | 116.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 492.0896 |
| Monoisotopic Mass | 492.0896 |
| Heavy Atoms | 31 |
| Complexity | 1050.5712 |
Chemical Identifiers
| CAS Number | 369403-47-4 |
|---|---|
| SMILES | CC1=C(C2(C3=C(C=CC(=C3)Br)NC2=O)C(=C(O1)N)C(=O)OC(C)(C)C)C(=O)OC(C)C |
Product Overview
AC1NELYM (CAS 369403-47-4), with molecular formula C22H25BrN2O6 and molecular weight 492.0896 g/mol. IUPAC: 3-O'-tert-butyl 5-O'-propan-2-yl 2'-amino-5-bromo-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate.
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