N-benzyl-3-(3-{[4-(4-tert-butylbenzene-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-tert-butylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-N-methylpropanamide--hydrogen chloride (1/1)
N-benzyl-3-(3-{[4-(4-tert-butylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-N-methylpropanamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E823-0022 |
| Compound Name: | N-benzyl-3-(3-{[4-(4-tert-butylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-N-methylpropanamide--hydrogen chloride (1/1) |
| Molecular Weight: | 576.16 |
| Molecular Formula: | C28 H37 N5 O4 S |
| Salt: | HCl |
| Smiles: | CC(C)(C)c1ccc(cc1)S(N1CCN(CC1)Cc1nc(CCC(N(C)Cc2ccccc2)=O)on1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3905 |
| logD: | 4.3903 |
| logSw: | -4.1584 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.718 |
| InChI Key: | WJCRDDWJUBCAFW-UHFFFAOYSA-N |