N,N-diethyl-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,N-diethyl-3-(3-{[4-(3-nitrobenzoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propanamide--hydrogen chloride (1/1)
N,N-diethyl-3-(3-{[4-(3-nitrobenzoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propanamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E823-0558 |
| Compound Name: | N,N-diethyl-3-(3-{[4-(3-nitrobenzoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propanamide--hydrogen chloride (1/1) |
| Molecular Weight: | 480.95 |
| Molecular Formula: | C21 H28 N6 O5 |
| Salt: | HCl |
| Smiles: | CCN(CC)C(CCc1nc(CN2CCN(CC2)C(c2cccc(c2)[N+]([O-])=O)=O)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0144 |
| logD: | 1.014 |
| logSw: | -2.2399 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 101.818 |
| InChI Key: | SJYMOFPVMYAGDJ-UHFFFAOYSA-N |