1-(azepan-1-yl)-3-(3-{[4-(4-bromobenzoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-(azepan-1-yl)-3-(3-{[4-(4-bromobenzoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propan-1-one--hydrogen chloride (1/1)
1-(azepan-1-yl)-3-(3-{[4-(4-bromobenzoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E823-0686 |
| Compound Name: | 1-(azepan-1-yl)-3-(3-{[4-(4-bromobenzoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 540.89 |
| Molecular Formula: | C23 H30 Br N5 O3 |
| Salt: | HCl |
| Smiles: | C1CCCN(CC1)C(CCc1nc(CN2CCN(CC2)C(c2ccc(cc2)[Br])=O)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6018 |
| logD: | 2.6014 |
| logSw: | -2.819 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.484 |
| InChI Key: | NXZKBCBYRZKBMI-UHFFFAOYSA-N |