N-(2H-1,3-benzodioxol-5-yl)-5-(1-benzoylpiperidin-4-yl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-(1-benzoylpiperidin-4-yl)-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-(1-benzoylpiperidin-4-yl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L076-0939 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-(1-benzoylpiperidin-4-yl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 436.49 |
| Molecular Formula: | C22 H20 N4 O4 S |
| Smiles: | C1CN(CCC1c1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8421 |
| logD: | 2.8413 |
| logSw: | -3.3832 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.326 |
| InChI Key: | BBOVDAHJGYXSCB-UHFFFAOYSA-N |