1-{rel-(3R,4R)-3-(phenoxymethyl)-4-[1-(thiophene-2-sulfonyl)piperidin-4-yl]pyrrolidin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{rel-(3R,4R)-3-(phenoxymethyl)-4-[1-(thiophene-2-sulfonyl)piperidin-4-yl]pyrrolidin-1-yl}ethan-1-one
1-{rel-(3R,4R)-3-(phenoxymethyl)-4-[1-(thiophene-2-sulfonyl)piperidin-4-yl]pyrrolidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S995-0025 |
| Compound Name: | 1-{rel-(3R,4R)-3-(phenoxymethyl)-4-[1-(thiophene-2-sulfonyl)piperidin-4-yl]pyrrolidin-1-yl}ethan-1-one |
| Molecular Weight: | 448.6 |
| Molecular Formula: | C22 H28 N2 O4 S2 |
| Smiles: | CC(N1C[C@@H](COc2ccccc2)[C@@H](C1)C1CCN(CC1)S(c1cccs1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.3816 |
| logD: | 3.3816 |
| logSw: | -3.4902 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.544 |
| InChI Key: | QWRPMRCGAXYDIK-TZIWHRDSSA-N |