3-(5-chloro-1H-benzimidazol-2-yl)-1-[rel-(3aR,4R,6aS)-4-hydroxyhexahydrocyclopenta[c]pyrrol-2(1H)-yl]propan-1-one
Chemical Structure Depiction of
3-(5-chloro-1H-benzimidazol-2-yl)-1-[rel-(3aR,4R,6aS)-4-hydroxyhexahydrocyclopenta[c]pyrrol-2(1H)-yl]propan-1-one
3-(5-chloro-1H-benzimidazol-2-yl)-1-[rel-(3aR,4R,6aS)-4-hydroxyhexahydrocyclopenta[c]pyrrol-2(1H)-yl]propan-1-one
Compound characteristics
| Compound ID: | S891-0333 |
| Compound Name: | 3-(5-chloro-1H-benzimidazol-2-yl)-1-[rel-(3aR,4R,6aS)-4-hydroxyhexahydrocyclopenta[c]pyrrol-2(1H)-yl]propan-1-one |
| Molecular Weight: | 333.82 |
| Molecular Formula: | C17 H20 Cl N3 O2 |
| Smiles: | [H][C@@]12CC[C@H]([C@@]2([H])CN(C1)C(CCc1nc2cc(ccc2[nH]1)[Cl])=O)O |
| Stereo: | RELATIVE |
| logP: | 2.1623 |
| logD: | 2.0947 |
| logSw: | -2.8891 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.776 |
| InChI Key: | JQBHTCSLOZOQRY-GMXABZIVSA-N |