1-{3-ethyl-3-[4-(2-ethylbenzene-1-sulfonyl)piperazin-1-yl]pyrrolidin-1-yl}-2-methylpropan-1-one
Chemical Structure Depiction of
1-{3-ethyl-3-[4-(2-ethylbenzene-1-sulfonyl)piperazin-1-yl]pyrrolidin-1-yl}-2-methylpropan-1-one
1-{3-ethyl-3-[4-(2-ethylbenzene-1-sulfonyl)piperazin-1-yl]pyrrolidin-1-yl}-2-methylpropan-1-one
Compound characteristics
| Compound ID: | T833-1195 |
| Compound Name: | 1-{3-ethyl-3-[4-(2-ethylbenzene-1-sulfonyl)piperazin-1-yl]pyrrolidin-1-yl}-2-methylpropan-1-one |
| Molecular Weight: | 421.6 |
| Molecular Formula: | C22 H35 N3 O3 S |
| Smiles: | CCc1ccccc1S(N1CCN(CC1)C1(CC)CCN(C1)C(C(C)C)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5717 |
| logD: | 3.561 |
| logSw: | -3.5268 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.018 |
| InChI Key: | XKJLNNGYMHFEOT-QFIPXVFZSA-N |