1-(4-methylpiperidin-1-yl)-3-(3-{[4-(3-nitrobenzoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-(4-methylpiperidin-1-yl)-3-(3-{[4-(3-nitrobenzoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propan-1-one--hydrogen chloride (1/1)
1-(4-methylpiperidin-1-yl)-3-(3-{[4-(3-nitrobenzoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E823-0342 |
| Compound Name: | 1-(4-methylpiperidin-1-yl)-3-(3-{[4-(3-nitrobenzoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 506.99 |
| Molecular Formula: | C23 H30 N6 O5 |
| Salt: | HCl |
| Smiles: | CC1CCN(CC1)C(CCc1nc(CN2CCN(CC2)C(c2cccc(c2)[N+]([O-])=O)=O)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4642 |
| logD: | 1.4638 |
| logSw: | -2.191 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 102.535 |
| InChI Key: | RWQISLOVXLPSST-UHFFFAOYSA-N |