AC1MISD4
tert-butyl 6'-amino-5-bromo-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
Also Known As: ChemDiv1_002324|Oprea1_076520|Oprea1_702785|HMS593J14|BAS 01108270|SR-01000423498-1|A0907/0042603|tert-butyl 6'-amino-5-bromo-5'-cyano-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate|tert-butyl 2'-amino-5-bromo-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate|tert-butyl 6'-amino-5-bromo-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate|tert-butyl 6-amino-11-bromo-5-cyano-2-methyl-8-oxospiro[4H-pyran-4,3'-indoline ]-3-carboxylate
| Molecular Formula | C19H18BrN3O4 |
|---|---|
| Molecular Weight | 431.04807 g/mol |
| LogP | 2.97878 |
| Topological Polar Surface Area | 114.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 431.04807 |
| Monoisotopic Mass | 431.04807 |
| Heavy Atoms | 27 |
| Complexity | 981.6494 |
Chemical Identifiers
| CAS Number | 313381-95-2 |
|---|---|
| SMILES | CC1=C(C2(C3=C(C=CC(=C3)Br)NC2=O)C(=C(O1)N)C#N)C(=O)OC(C)(C)C |
Product Overview
AC1MISD4 (CAS 313381-95-2), with molecular formula C19H18BrN3O4 and molecular weight 431.04807 g/mol. IUPAC: tert-butyl 6'-amino-5-bromo-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate.