rel-(2R,7aS)-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-methoxyphenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Chemical Structure Depiction of
rel-(2R,7aS)-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-methoxyphenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
rel-(2R,7aS)-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-methoxyphenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Compound characteristics
| Compound ID: | SC91-0463 |
| Compound Name: | rel-(2R,7aS)-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-methoxyphenyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide |
| Molecular Weight: | 418.49 |
| Molecular Formula: | C24 H26 N4 O3 |
| Smiles: | COc1cccc(c1)[C@@]1(C[C@@H]2CCC(N2C1)=O)C(NCCc1nc2ccccc2[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0797 |
| logD: | 2.0662 |
| logSw: | -2.7997 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.593 |
| InChI Key: | GSCOFGHPQAFYOX-BXKMTCNYSA-N |