1-{5-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}pyrrolidin-2-one
Chemical Structure Depiction of
1-{5-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}pyrrolidin-2-one
1-{5-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}pyrrolidin-2-one
Compound characteristics
| Compound ID: | E017-0031 |
| Compound Name: | 1-{5-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}pyrrolidin-2-one |
| Molecular Weight: | 454.59 |
| Molecular Formula: | C23 H30 N6 O2 S |
| Smiles: | C1CC(N(C1)c1nnc(N2CCC(CC2)C(N2CCN(CC2)Cc2ccccc2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2603 |
| logD: | 2.2086 |
| logSw: | -2.4296 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.83 |
| InChI Key: | DKFDRSABUXIRFM-UHFFFAOYSA-N |