rel-(3aR,5S,6aR)-5-[3-(1H-benzimidazol-2-yl)propanamido]-2-benzyl-N-methylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,5S,6aR)-5-[3-(1H-benzimidazol-2-yl)propanamido]-2-benzyl-N-methylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
rel-(3aR,5S,6aR)-5-[3-(1H-benzimidazol-2-yl)propanamido]-2-benzyl-N-methylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | SD64-0528 |
| Compound Name: | rel-(3aR,5S,6aR)-5-[3-(1H-benzimidazol-2-yl)propanamido]-2-benzyl-N-methylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C26 H31 N5 O2 |
| Smiles: | [H][C@]12C[C@@H](C[C@@]2(CN(Cc2ccccc2)C1)C(NC)=O)NC(CCc1nc2ccccc2[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4133 |
| logD: | -0.8731 |
| logSw: | -2.6397 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.34 |
| InChI Key: | LRGANNHUKGYMRG-DYLHXGEVSA-N |