rel-(3R,3aR,5R,6aR,7S)-7-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]hexahydro-2H-3,5-methanocyclopenta[b]furan-2-one
Chemical Structure Depiction of
rel-(3R,3aR,5R,6aR,7S)-7-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]hexahydro-2H-3,5-methanocyclopenta[b]furan-2-one
rel-(3R,3aR,5R,6aR,7S)-7-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]hexahydro-2H-3,5-methanocyclopenta[b]furan-2-one
Compound characteristics
| Compound ID: | D127-0029 |
| Compound Name: | rel-(3R,3aR,5R,6aR,7S)-7-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]hexahydro-2H-3,5-methanocyclopenta[b]furan-2-one |
| Molecular Weight: | 374.87 |
| Molecular Formula: | C20 H23 Cl N2 O3 |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C([C@H]1[C@@H]2C[C@@H]3[C@H]1C(=O)O[C@@H]3C2)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1387 |
| logD: | 3.1387 |
| logSw: | -3.3456 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.286 |
| InChI Key: | VVNRTQWLPALYSG-DUBCDFBXSA-N |