N-benzyl-N-methyl-3-(3-{[4-(4-nitrobenzoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propanamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-benzyl-N-methyl-3-(3-{[4-(4-nitrobenzoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propanamide--hydrogen chloride (1/1)
N-benzyl-N-methyl-3-(3-{[4-(4-nitrobenzoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propanamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E823-0233 |
| Compound Name: | N-benzyl-N-methyl-3-(3-{[4-(4-nitrobenzoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propanamide--hydrogen chloride (1/1) |
| Molecular Weight: | 529 |
| Molecular Formula: | C25 H28 N6 O5 |
| Salt: | HCl |
| Smiles: | CN(Cc1ccccc1)C(CCc1nc(CN2CCN(CC2)C(c2ccc(cc2)[N+]([O-])=O)=O)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2502 |
| logD: | 2.2498 |
| logSw: | -2.5314 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 102.037 |
| InChI Key: | RRNIBJNVVAEKOY-UHFFFAOYSA-N |