N-benzyl-N-ethyl-3-(3-{[4-(3-nitrobenzoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propanamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-benzyl-N-ethyl-3-(3-{[4-(3-nitrobenzoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propanamide--hydrogen chloride (1/1)
N-benzyl-N-ethyl-3-(3-{[4-(3-nitrobenzoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propanamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E823-0180 |
| Compound Name: | N-benzyl-N-ethyl-3-(3-{[4-(3-nitrobenzoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propanamide--hydrogen chloride (1/1) |
| Molecular Weight: | 543.02 |
| Molecular Formula: | C26 H30 N6 O5 |
| Salt: | HCl |
| Smiles: | CCN(Cc1ccccc1)C(CCc1nc(CN2CCN(CC2)C(c2cccc(c2)[N+]([O-])=O)=O)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1047 |
| logD: | 2.1043 |
| logSw: | -2.6774 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 101.822 |
| InChI Key: | VMXZRSMUQDGLQN-UHFFFAOYSA-N |