1-[5-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}pyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
Chemical Structure Depiction of
1-[5-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}pyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
1-[5-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}pyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
Compound characteristics
| Compound ID: | G397-0104 |
| Compound Name: | 1-[5-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}pyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one |
| Molecular Weight: | 484.58 |
| Molecular Formula: | C23 H28 N6 O4 S |
| Smiles: | C1CC(C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)N(C1)c1nnc(N2CCCC2=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6974 |
| logD: | 1.4211 |
| logSw: | -2.4201 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.005 |
| InChI Key: | KPUZPGUDRIQLKM-KRWDZBQOSA-N |