N-benzyl-3-(3-{[4-(2-bromobenzoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-N-methylpropanamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-benzyl-3-(3-{[4-(2-bromobenzoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-N-methylpropanamide--hydrogen chloride (1/1)
N-benzyl-3-(3-{[4-(2-bromobenzoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-N-methylpropanamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E823-0255 |
| Compound Name: | N-benzyl-3-(3-{[4-(2-bromobenzoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-N-methylpropanamide--hydrogen chloride (1/1) |
| Molecular Weight: | 562.89 |
| Molecular Formula: | C25 H28 Br N5 O3 |
| Salt: | HCl |
| Smiles: | CN(Cc1ccccc1)C(CCc1nc(CN2CCN(CC2)C(c2ccccc2[Br])=O)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7923 |
| logD: | 2.7919 |
| logSw: | -3.3791 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.655 |
| InChI Key: | WTDMRXQMJDMYQW-UHFFFAOYSA-N |