1-(azepan-1-yl)-3-(3-{[4-(4-tert-butylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-(azepan-1-yl)-3-(3-{[4-(4-tert-butylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propan-1-one--hydrogen chloride (1/1)
1-(azepan-1-yl)-3-(3-{[4-(4-tert-butylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E823-0142 |
| Compound Name: | 1-(azepan-1-yl)-3-(3-{[4-(4-tert-butylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 554.15 |
| Molecular Formula: | C26 H39 N5 O4 S |
| Salt: | HCl |
| Smiles: | CC(C)(C)c1ccc(cc1)S(N1CCN(CC1)Cc1nc(CCC(N2CCCCCC2)=O)on1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8339 |
| logD: | 3.8337 |
| logSw: | -3.8086 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.547 |
| InChI Key: | WPBCDOVYKYZWIU-UHFFFAOYSA-N |