N-(2H-1,3-benzodioxol-5-yl)-5-[1-(4-cyanobenzoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-[1-(4-cyanobenzoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-[1-(4-cyanobenzoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F792-1470 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-[1-(4-cyanobenzoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 447.47 |
| Molecular Formula: | C22 H17 N5 O4 S |
| Smiles: | C1CC(c2nnc(C(Nc3ccc4c(c3)OCO4)=O)s2)N(C1)C(c1ccc(C#N)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4806 |
| logD: | 2.4797 |
| logSw: | -2.9798 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.442 |
| InChI Key: | OTDZYQCVVKLKCP-INIZCTEOSA-N |