N-(2H-1,3-benzodioxol-5-yl)-5-[(4-fluorobenzamido)methyl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-[(4-fluorobenzamido)methyl]-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-[(4-fluorobenzamido)methyl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L061-0656 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-[(4-fluorobenzamido)methyl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 400.39 |
| Molecular Formula: | C18 H13 F N4 O4 S |
| Smiles: | C(c1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)NC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5172 |
| logD: | 2.5163 |
| logSw: | -3.0321 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.858 |
| InChI Key: | QHOIWTWDFVEZDO-UHFFFAOYSA-N |