tert-butyl 6'-amino-5-bromo-5'-cyano-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate
Chemical Structure Depiction of
tert-butyl 6'-amino-5-bromo-5'-cyano-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate
tert-butyl 6'-amino-5-bromo-5'-cyano-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate
Compound characteristics
| Compound ID: | 8005-2603 |
| Compound Name: | tert-butyl 6'-amino-5-bromo-5'-cyano-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate |
| Molecular Weight: | 432.27 |
| Molecular Formula: | C19 H18 Br N3 O4 |
| Smiles: | CC1=C(C(=O)OC(C)(C)C)C2(C(C#N)=C(N)O1)C(Nc1ccc(cc12)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3324 |
| logD: | 3.3309 |
| logSw: | -3.8895 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.799 |
| InChI Key: | SMRVBAUQWVAIOB-LJQANCHMSA-N |