N-(2H-1,3-benzodioxol-5-yl)-5-[1-(3-methoxybenzoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-[1-(3-methoxybenzoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-[1-(3-methoxybenzoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F792-1459 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-[1-(3-methoxybenzoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 452.49 |
| Molecular Formula: | C22 H20 N4 O5 S |
| Smiles: | COc1cccc(c1)C(N1CCCC1c1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8042 |
| logD: | 2.8034 |
| logSw: | -3.4507 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.93 |
| InChI Key: | YZURMKJUJPIZSQ-INIZCTEOSA-N |