N-(2H-1,3-benzodioxol-5-yl)-5-{1-[(thiophen-2-yl)acetyl]piperidin-4-yl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-{1-[(thiophen-2-yl)acetyl]piperidin-4-yl}-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-{1-[(thiophen-2-yl)acetyl]piperidin-4-yl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L076-0891 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-{1-[(thiophen-2-yl)acetyl]piperidin-4-yl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 456.54 |
| Molecular Formula: | C21 H20 N4 O4 S2 |
| Smiles: | C1CN(CCC1c1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)C(Cc1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7777 |
| logD: | 2.7769 |
| logSw: | -3.2982 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.817 |
| InChI Key: | PQEMHGYVDXYMHL-UHFFFAOYSA-N |