ethyl 2-amino-5'-bromo-7,7-dimethyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[[1]benzopyran-4,3'-indole]-3-carboxylate
Chemical Structure Depiction of
ethyl 2-amino-5'-bromo-7,7-dimethyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[[1]benzopyran-4,3'-indole]-3-carboxylate
ethyl 2-amino-5'-bromo-7,7-dimethyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[[1]benzopyran-4,3'-indole]-3-carboxylate
Compound characteristics
| Compound ID: | 8005-2604 |
| Compound Name: | ethyl 2-amino-5'-bromo-7,7-dimethyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[[1]benzopyran-4,3'-indole]-3-carboxylate |
| Molecular Weight: | 461.31 |
| Molecular Formula: | C21 H21 Br N2 O5 |
| Smiles: | CCOC(C1=C(N)OC2CC(C)(C)CC(C=2C12C(Nc1ccc(cc12)[Br])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3335 |
| logD: | 3.3317 |
| logSw: | -3.7913 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.543 |
| InChI Key: | LMYRMERUWOGLNI-OAQYLSRUSA-N |