N-(2H-1,3-benzodioxol-5-yl)-5-[1-(2-chlorobenzoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-[1-(2-chlorobenzoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-[1-(2-chlorobenzoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F792-1542 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-[1-(2-chlorobenzoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 456.91 |
| Molecular Formula: | C21 H17 Cl N4 O4 S |
| Smiles: | C1CC(c2nnc(C(Nc3ccc4c(c3)OCO4)=O)s2)N(C1)C(c1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1536 |
| logD: | 3.1528 |
| logSw: | -3.7822 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.386 |
| InChI Key: | PHCSJIZCMCLFDH-HNNXBMFYSA-N |