1-{4-[rel-(3R,4R)-1-(2-ethylbenzene-1-sulfonyl)-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
Chemical Structure Depiction of
1-{4-[rel-(3R,4R)-1-(2-ethylbenzene-1-sulfonyl)-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
1-{4-[rel-(3R,4R)-1-(2-ethylbenzene-1-sulfonyl)-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S995-1132 |
| Compound Name: | 1-{4-[rel-(3R,4R)-1-(2-ethylbenzene-1-sulfonyl)-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one |
| Molecular Weight: | 422.59 |
| Molecular Formula: | C22 H34 N2 O4 S |
| Smiles: | CCc1ccccc1S(N1C[C@@H](CO)[C@@H](C1)C1CCN(CC1)C(C(C)C)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.863 |
| logD: | 2.863 |
| logSw: | -3.0766 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.946 |
| InChI Key: | MMZUPIVGFQAMNV-PMACEKPBSA-N |