rel-(2'R,3R,7'aS)-N-(4-bromo-2-fluorophenyl)-2-oxo-1,1',2,2',5',6',7',7'a-octahydrospiro[indole-3,3'-pyrrolizine]-2'-carboxamide
Chemical Structure Depiction of
rel-(2'R,3R,7'aS)-N-(4-bromo-2-fluorophenyl)-2-oxo-1,1',2,2',5',6',7',7'a-octahydrospiro[indole-3,3'-pyrrolizine]-2'-carboxamide
rel-(2'R,3R,7'aS)-N-(4-bromo-2-fluorophenyl)-2-oxo-1,1',2,2',5',6',7',7'a-octahydrospiro[indole-3,3'-pyrrolizine]-2'-carboxamide
Compound characteristics
| Compound ID: | E530-0118 |
| Compound Name: | rel-(2'R,3R,7'aS)-N-(4-bromo-2-fluorophenyl)-2-oxo-1,1',2,2',5',6',7',7'a-octahydrospiro[indole-3,3'-pyrrolizine]-2'-carboxamide |
| Molecular Weight: | 444.3 |
| Molecular Formula: | C21 H19 Br F N3 O2 |
| Smiles: | [H][C@@]12CCCN2[C@@]2(C(Nc3ccccc23)=O)[C@H](C1)C(Nc1ccc(cc1F)[Br])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.9883 |
| logD: | 3.8168 |
| logSw: | -4.197 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.17 |
| InChI Key: | KQAIYEBLVJTBDU-QDUSTFBWSA-N |