N-benzyl-3-(3-{[4-(4-bromobenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-N-methylpropanamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-benzyl-3-(3-{[4-(4-bromobenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-N-methylpropanamide--hydrogen chloride (1/1)
N-benzyl-3-(3-{[4-(4-bromobenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-N-methylpropanamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E823-0019 |
| Compound Name: | N-benzyl-3-(3-{[4-(4-bromobenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-N-methylpropanamide--hydrogen chloride (1/1) |
| Molecular Weight: | 598.95 |
| Molecular Formula: | C24 H28 Br N5 O4 S |
| Salt: | HCl |
| Smiles: | CN(Cc1ccccc1)C(CCc1nc(CN2CCN(CC2)S(c2ccc(cc2)[Br])(=O)=O)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4299 |
| logD: | 3.4297 |
| logSw: | -3.7368 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.718 |
| InChI Key: | VSPLUTHXZKJHCL-UHFFFAOYSA-N |