rel-(2R,7aS)-2-(4-fluorophenyl)-N-[2-(5-methyl-1H-benzimidazol-2-yl)ethyl]-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Chemical Structure Depiction of
rel-(2R,7aS)-2-(4-fluorophenyl)-N-[2-(5-methyl-1H-benzimidazol-2-yl)ethyl]-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
rel-(2R,7aS)-2-(4-fluorophenyl)-N-[2-(5-methyl-1H-benzimidazol-2-yl)ethyl]-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Compound characteristics
| Compound ID: | SC91-0611 |
| Compound Name: | rel-(2R,7aS)-2-(4-fluorophenyl)-N-[2-(5-methyl-1H-benzimidazol-2-yl)ethyl]-5-oxohexahydro-1H-pyrrolizine-2-carboxamide |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C24 H25 F N4 O2 |
| Smiles: | Cc1ccc2c(c1)nc(CCNC([C@]1(C[C@@H]3CCC(N3C1)=O)c1ccc(cc1)F)=O)[nH]2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7564 |
| logD: | 2.7482 |
| logSw: | -3.0737 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.05 |
| InChI Key: | AEXUVGCGRLCJDB-MHECFPHRSA-N |