3-[3-({4-[4-(1,3-benzothiazol-2-yl)butanoyl]piperazin-1-yl}methyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexyl-N-methylpropanamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
3-[3-({4-[4-(1,3-benzothiazol-2-yl)butanoyl]piperazin-1-yl}methyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexyl-N-methylpropanamide--hydrogen chloride (1/1)
3-[3-({4-[4-(1,3-benzothiazol-2-yl)butanoyl]piperazin-1-yl}methyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexyl-N-methylpropanamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E823-0312 |
| Compound Name: | 3-[3-({4-[4-(1,3-benzothiazol-2-yl)butanoyl]piperazin-1-yl}methyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexyl-N-methylpropanamide--hydrogen chloride (1/1) |
| Molecular Weight: | 575.17 |
| Molecular Formula: | C28 H38 N6 O3 S |
| Salt: | HCl |
| Smiles: | CN(C1CCCCC1)C(CCc1nc(CN2CCN(CC2)C(CCCc2nc3ccccc3s2)=O)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3595 |
| logD: | 3.3586 |
| logSw: | -3.6051 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.395 |
| InChI Key: | IFABKWXXQNQWGL-UHFFFAOYSA-N |