3-(3-{[4-(4-bromobenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-1-(pyrrolidin-1-yl)propan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
3-(3-{[4-(4-bromobenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-1-(pyrrolidin-1-yl)propan-1-one--hydrogen chloride (1/1)
3-(3-{[4-(4-bromobenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-1-(pyrrolidin-1-yl)propan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E823-0064 |
| Compound Name: | 3-(3-{[4-(4-bromobenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-1-(pyrrolidin-1-yl)propan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 548.89 |
| Molecular Formula: | C20 H26 Br N5 O4 S |
| Salt: | HCl |
| Smiles: | C1CCN(C1)C(CCc1nc(CN2CCN(CC2)S(c2ccc(cc2)[Br])(=O)=O)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1584 |
| logD: | 2.1582 |
| logSw: | -2.5309 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.582 |
| InChI Key: | ZBJUQWSDKYMSFP-UHFFFAOYSA-N |