3-(3-{[4-(4-acetamidobenzoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-N-benzyl-N-ethylpropanamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
3-(3-{[4-(4-acetamidobenzoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-N-benzyl-N-ethylpropanamide--hydrogen chloride (1/1)
3-(3-{[4-(4-acetamidobenzoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-N-benzyl-N-ethylpropanamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E823-0189 |
| Compound Name: | 3-(3-{[4-(4-acetamidobenzoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-N-benzyl-N-ethylpropanamide--hydrogen chloride (1/1) |
| Molecular Weight: | 555.08 |
| Molecular Formula: | C28 H34 N6 O4 |
| Salt: | HCl |
| Smiles: | CCN(Cc1ccccc1)C(CCc1nc(CN2CCN(CC2)C(c2ccc(cc2)NC(C)=O)=O)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4441 |
| logD: | 1.4435 |
| logSw: | -2.0409 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.703 |
| InChI Key: | VCDBQGRYALRRLP-UHFFFAOYSA-N |