4-ethyl-2-methyl-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-ethyl-2-methyl-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
4-ethyl-2-methyl-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0041 |
| Compound Name: | 4-ethyl-2-methyl-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 334.44 |
| Molecular Formula: | C16 H22 N4 O2 S |
| Smiles: | CCN1C(C2CCN(CC2)C(c2c(C)ccs2)=O)=NN(C)C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.5097 |
| logD: | 2.5089 |
| logSw: | -2.2882 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.759 |
| InChI Key: | NXFTYGSYNJGLEI-UHFFFAOYSA-N |