3-(3-{[4-(4-fluoro-3-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-1-(piperidin-1-yl)propan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
3-(3-{[4-(4-fluoro-3-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-1-(piperidin-1-yl)propan-1-one--hydrogen chloride (1/1)
3-(3-{[4-(4-fluoro-3-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-1-(piperidin-1-yl)propan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E823-0098 |
| Compound Name: | 3-(3-{[4-(4-fluoro-3-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-1-(piperidin-1-yl)propan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 516.03 |
| Molecular Formula: | C22 H30 F N5 O4 S |
| Salt: | HCl |
| Smiles: | Cc1cc(ccc1F)S(N1CCN(CC1)Cc1nc(CCC(N2CCCCC2)=O)on1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0389 |
| logD: | 2.0387 |
| logSw: | -2.6279 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.216 |
| InChI Key: | CETRJFNURAHRPT-UHFFFAOYSA-N |