1-{3-[4-(4-chloro-2-methylbenzene-1-sulfonyl)piperazin-1-yl]-3-ethylpyrrolidin-1-yl}-2-methylpropan-1-one
Chemical Structure Depiction of
1-{3-[4-(4-chloro-2-methylbenzene-1-sulfonyl)piperazin-1-yl]-3-ethylpyrrolidin-1-yl}-2-methylpropan-1-one
1-{3-[4-(4-chloro-2-methylbenzene-1-sulfonyl)piperazin-1-yl]-3-ethylpyrrolidin-1-yl}-2-methylpropan-1-one
Compound characteristics
| Compound ID: | T833-1172 |
| Compound Name: | 1-{3-[4-(4-chloro-2-methylbenzene-1-sulfonyl)piperazin-1-yl]-3-ethylpyrrolidin-1-yl}-2-methylpropan-1-one |
| Molecular Weight: | 442.02 |
| Molecular Formula: | C21 H32 Cl N3 O3 S |
| Smiles: | CCC1(CCN(C1)C(C(C)C)=O)N1CCN(CC1)S(c1ccc(cc1C)[Cl])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1468 |
| logD: | 4.1362 |
| logSw: | -4.3622 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.018 |
| InChI Key: | CYPAFXZVDKDBFX-NRFANRHFSA-N |