2,5-dimethyl-4-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
2,5-dimethyl-4-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
2,5-dimethyl-4-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S794-0056 |
| Compound Name: | 2,5-dimethyl-4-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 320.41 |
| Molecular Formula: | C15 H20 N4 O2 S |
| Smiles: | CC1=NN(C)C(N1C1CCN(CC1)C(c1ccc(C)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4477 |
| logD: | 2.4476 |
| logSw: | -2.3319 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.828 |
| InChI Key: | WLTKOJPTRAYLLL-UHFFFAOYSA-N |