N-(2H-1,3-benzodioxol-5-yl)-5-{1-[(2-chlorophenyl)acetyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-{1-[(2-chlorophenyl)acetyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-{1-[(2-chlorophenyl)acetyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F792-1512 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-{1-[(2-chlorophenyl)acetyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 470.93 |
| Molecular Formula: | C22 H19 Cl N4 O4 S |
| Smiles: | C1CC(c2nnc(C(Nc3ccc4c(c3)OCO4)=O)s2)N(C1)C(Cc1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6459 |
| logD: | 3.645 |
| logSw: | -4.0703 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.858 |
| InChI Key: | RGSDLGQHRRLAMC-INIZCTEOSA-N |