butyl 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
butyl 2-amino-5'-bromo-7,7-dimethyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[[1]benzopyran-4,3'-indole]-3-carboxylate
butyl 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: | 5587-0173 |
| Compound Name: | butyl 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: | 489.37 |
| Molecular Formula: | C23 H25 Br N2 O5 |
| Smiles: | CCCCOC(C1=C(N)OC2CC(C)(C)CC(C=2C12C(Nc1ccc(cc12)[Br])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3182 |
| logD: | 4.3164 |
| logSw: | -4.6073 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.837 |
| InChI Key: | MGSFSLMRHVOZNK-HSZRJFAPSA-N |