5-[1-(3,4-difluorobenzene-1-sulfonyl)piperidin-4-yl]-4-ethyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(3,4-difluorobenzene-1-sulfonyl)piperidin-4-yl]-4-ethyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(3,4-difluorobenzene-1-sulfonyl)piperidin-4-yl]-4-ethyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0088 |
| Compound Name: | 5-[1-(3,4-difluorobenzene-1-sulfonyl)piperidin-4-yl]-4-ethyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 386.42 |
| Molecular Formula: | C16 H20 F2 N4 O3 S |
| Smiles: | CCN1C(C2CCN(CC2)S(c2ccc(c(c2)F)F)(=O)=O)=NN(C)C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.6994 |
| logD: | 2.6989 |
| logSw: | -2.9595 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.804 |
| InChI Key: | ATEJGWRLRQWHNQ-UHFFFAOYSA-N |