N-(2H-1,3-benzodioxol-5-yl)-5-[1-(3-methylbenzoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-[1-(3-methylbenzoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-[1-(3-methylbenzoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F792-1495 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-[1-(3-methylbenzoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 436.49 |
| Molecular Formula: | C22 H20 N4 O4 S |
| Smiles: | Cc1cccc(c1)C(N1CCCC1c1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1131 |
| logD: | 3.1122 |
| logSw: | -3.2676 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.386 |
| InChI Key: | ZWGBAMNHPFCGOY-INIZCTEOSA-N |