1-[5-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}piperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
Chemical Structure Depiction of
1-[5-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}piperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
1-[5-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}piperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
Compound characteristics
| Compound ID: | G397-0564 |
| Compound Name: | 1-[5-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}piperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one |
| Molecular Weight: | 498.6 |
| Molecular Formula: | C24 H30 N6 O4 S |
| Smiles: | C1CC(CN(C1)c1nnc(N2CCCC2=O)s1)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0601 |
| logD: | 1.5918 |
| logSw: | -2.6781 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.879 |
| InChI Key: | GHEHQNIXYDWXPC-SFHVURJKSA-N |