tert-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
tert-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
tert-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: | 2435-0158 |
| Compound Name: | tert-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: | CC1(C)CC2=C(C(C1)=O)C1(C(=C(N)O2)C(=O)OC(C)(C)C)C(Nc2ccc(cc12)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0908 |
| logD: | 4.089 |
| logSw: | -4.5502 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.653 |
| InChI Key: | HYEMWAMJVMADAO-HSZRJFAPSA-N |