N-(2H-1,3-benzodioxol-5-yl)-5-{1-[(3-chlorophenyl)carbamoyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-{1-[(3-chlorophenyl)carbamoyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-{1-[(3-chlorophenyl)carbamoyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F793-1202 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-{1-[(3-chlorophenyl)carbamoyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 471.92 |
| Molecular Formula: | C21 H18 Cl N5 O4 S |
| Smiles: | C1CC(c2nnc(C(Nc3ccc4c(c3)OCO4)=O)s2)N(C1)C(Nc1cccc(c1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7432 |
| logD: | 3.7424 |
| logSw: | -4.2254 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.207 |
| InChI Key: | VBWYXJKSYVFWIJ-HNNXBMFYSA-N |