4-ethyl-5-[1-(4-fluoro-3-methylbenzene-1-sulfonyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-ethyl-5-[1-(4-fluoro-3-methylbenzene-1-sulfonyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
4-ethyl-5-[1-(4-fluoro-3-methylbenzene-1-sulfonyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0087 |
| Compound Name: | 4-ethyl-5-[1-(4-fluoro-3-methylbenzene-1-sulfonyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 382.46 |
| Molecular Formula: | C17 H23 F N4 O3 S |
| Smiles: | CCN1C(C2CCN(CC2)S(c2ccc(c(C)c2)F)(=O)=O)=NN(C)C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.8318 |
| logD: | 2.8313 |
| logSw: | -3.0448 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.804 |
| InChI Key: | CTVIKVYJOANXFK-UHFFFAOYSA-N |