AC1MISDA
methyl 2'-amino-5-bromo-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate
Also Known As: ChemDiv1_002412|Oprea1_075085|Oprea1_556844|HMS593N14|BAS 01108273|SR-01000360332-1|A0907/0042606|methyl 2-amino-5'-bromo-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carboxylate|methyl 2'-amino-5-bromo-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate|methyl 2-amino-15-bromo-5,12-dioxospiro[4H-6,7,8-trihydrochromene-4,3'-indolin e]-3-carboxylate|methyl 2-amino-5'-bromo-2',5-dioxo-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate
| Molecular Formula | C18H15BrN2O5 |
|---|---|
| Molecular Weight | 418.01642 g/mol |
| LogP | 2.0196 |
| Topological Polar Surface Area | 107.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 418.01642 |
| Monoisotopic Mass | 418.01642 |
| Heavy Atoms | 26 |
| Complexity | 948.8999 |
Chemical Identifiers
| CAS Number | 313381-98-5 |
|---|---|
| SMILES | COC(=O)C1=C(OC2=C(C13C4=C(C=CC(=C4)Br)NC3=O)C(=O)CCC2)N |
Product Overview
AC1MISDA (CAS 313381-98-5), with molecular formula C18H15BrN2O5 and molecular weight 418.01642 g/mol. IUPAC: methyl 2'-amino-5-bromo-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate.
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