rel-(2R,7aS)-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-fluorophenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Chemical Structure Depiction of
rel-(2R,7aS)-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-fluorophenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
rel-(2R,7aS)-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-fluorophenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Compound characteristics
| Compound ID: | SC91-0607 |
| Compound Name: | rel-(2R,7aS)-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-fluorophenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C23 H23 F N4 O2 |
| Smiles: | C1C[C@H]2C[C@@](CN2C1=O)(C(NCCc1nc2ccccc2[nH]1)=O)c1ccc(cc1)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2967 |
| logD: | 2.2832 |
| logSw: | -2.7472 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.05 |
| InChI Key: | BQTNSQBOYFMSEY-GAJHUEQPSA-N |