1-{3-[4-(2-chlorobenzene-1-sulfonyl)piperazin-1-yl]-3-ethylpyrrolidin-1-yl}-2-methylpropan-1-one
Chemical Structure Depiction of
1-{3-[4-(2-chlorobenzene-1-sulfonyl)piperazin-1-yl]-3-ethylpyrrolidin-1-yl}-2-methylpropan-1-one
1-{3-[4-(2-chlorobenzene-1-sulfonyl)piperazin-1-yl]-3-ethylpyrrolidin-1-yl}-2-methylpropan-1-one
Compound characteristics
| Compound ID: | T833-1155 |
| Compound Name: | 1-{3-[4-(2-chlorobenzene-1-sulfonyl)piperazin-1-yl]-3-ethylpyrrolidin-1-yl}-2-methylpropan-1-one |
| Molecular Weight: | 427.99 |
| Molecular Formula: | C20 H30 Cl N3 O3 S |
| Smiles: | CCC1(CCN(C1)C(C(C)C)=O)N1CCN(CC1)S(c1ccccc1[Cl])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0845 |
| logD: | 3.0739 |
| logSw: | -3.3894 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.018 |
| InChI Key: | QRJGHLNBLDWOSY-FQEVSTJZSA-N |