{4-[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]piperazin-1-yl}[(2S,4R)-4-hydroxy-1-(oxan-4-yl)pyrrolidin-2-yl]methanone
Chemical Structure Depiction of
{4-[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]piperazin-1-yl}[(2S,4R)-4-hydroxy-1-(oxan-4-yl)pyrrolidin-2-yl]methanone
{4-[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]piperazin-1-yl}[(2S,4R)-4-hydroxy-1-(oxan-4-yl)pyrrolidin-2-yl]methanone
Compound characteristics
| Compound ID: | T648-0183 |
| Compound Name: | {4-[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]piperazin-1-yl}[(2S,4R)-4-hydroxy-1-(oxan-4-yl)pyrrolidin-2-yl]methanone |
| Molecular Weight: | 404.55 |
| Molecular Formula: | C22 H36 N4 O3 |
| Smiles: | Cc1ccc(C)n1CCN1CCN(CC1)C([C@@H]1C[C@H](CN1C1CCOCC1)O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.6813 |
| logD: | 0.6578 |
| logSw: | -1.3711 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.711 |
| InChI Key: | ZDXKWDZMHLUONP-SFTDATJTSA-N |