3-(3-{[4-(4-tert-butylbenzene-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-tert-butylbenzene-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-tert-butylbenzene-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: | E823-0067 |
| Compound Name: | 3-(3-{[4-(4-tert-butylbenzene-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: | 526.1 |
| Molecular Formula: | C24 H35 N5 O4 S |
| Salt: | HCl |
| Smiles: | CC(C)(C)c1ccc(cc1)S(N1CCN(CC1)Cc1nc(CCC(N2CCCC2)=O)on1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.119 |
| logD: | 3.1188 |
| logSw: | -3.3395 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.582 |
| InChI Key: | MCRHSCPRFHBMQK-UHFFFAOYSA-N |