N-(2H-1,3-benzodioxol-5-yl)-5-[1-(2,4-dimethoxybenzoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-[1-(2,4-dimethoxybenzoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-[1-(2,4-dimethoxybenzoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F792-1474 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-[1-(2,4-dimethoxybenzoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 482.51 |
| Molecular Formula: | C23 H22 N4 O6 S |
| Smiles: | COc1ccc(C(N2CCCC2c2nnc(C(Nc3ccc4c(c3)OCO4)=O)s2)=O)c(c1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.822 |
| logD: | 2.8211 |
| logSw: | -3.5105 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.56 |
| InChI Key: | XKSFMHLGZHHXER-INIZCTEOSA-N |