1-(azepan-1-yl)-3-[3-({4-[5-(thiophen-2-yl)-1,2-oxazole-3-carbonyl]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-[5-(thiophen-2-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl}methyl)-1,2,4-oxadiazol-5-yl]propan-1-one--hydrogen chloride (1/1)
1-(azepan-1-yl)-3-[3-({4-[5-(thiophen-2-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl}methyl)-1,2,4-oxadiazol-5-yl]propan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E823-0684 |
| Compound Name: | 1-(azepan-1-yl)-3-[3-({4-[5-(thiophen-2-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl}methyl)-1,2,4-oxadiazol-5-yl]propan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 535.06 |
| Molecular Formula: | C24 H30 N6 O4 S |
| Salt: | HCl |
| Smiles: | C1CCCN(CC1)C(CCc1nc(CN2CCN(CC2)C(c2cc(c3cccs3)on2)=O)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5479 |
| logD: | 2.5475 |
| logSw: | -2.7936 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 92.038 |
| InChI Key: | JNALDVRULLNCFR-UHFFFAOYSA-N |