3-(3-{[4-(2,4-dimethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
3-(3-{[4-(2,4-dimethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one--hydrogen chloride (1/1)
3-(3-{[4-(2,4-dimethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E823-0059 |
| Compound Name: | 3-(3-{[4-(2,4-dimethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 526.1 |
| Molecular Formula: | C24 H35 N5 O4 S |
| Salt: | HCl |
| Smiles: | CC1CCN(CC1)C(CCc1nc(CN2CCN(CC2)S(c2ccc(C)cc2C)(=O)=O)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7167 |
| logD: | 2.7165 |
| logSw: | -2.9895 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.216 |
| InChI Key: | NQNBGSUGRLUAAJ-UHFFFAOYSA-N |