5-[1-(2H-1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[1-(2H-1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide
5-[1-(2H-1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F792-1776 |
| Compound Name: | 5-[1-(2H-1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 458.44 |
| Molecular Formula: | C21 H16 F2 N4 O4 S |
| Smiles: | C1CC(c2nnc(C(Nc3ccc(cc3F)F)=O)s2)N(C1)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9455 |
| logD: | 2.7752 |
| logSw: | -3.3752 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.688 |
| InChI Key: | KUUVMRYVDPLFHR-HNNXBMFYSA-N |