5-[1-(3-fluorobenzene-1-sulfonyl)piperidin-4-yl]-2-methyl-4-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(3-fluorobenzene-1-sulfonyl)piperidin-4-yl]-2-methyl-4-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(3-fluorobenzene-1-sulfonyl)piperidin-4-yl]-2-methyl-4-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-1118 |
| Compound Name: | 5-[1-(3-fluorobenzene-1-sulfonyl)piperidin-4-yl]-2-methyl-4-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 444.53 |
| Molecular Formula: | C22 H25 F N4 O3 S |
| Smiles: | CN1C(N(CCc2ccccc2)C(C2CCN(CC2)S(c2cccc(c2)F)(=O)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8269 |
| logD: | 3.8269 |
| logSw: | -3.8888 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.786 |
| InChI Key: | ZKVOMMAIPUZXMV-UHFFFAOYSA-N |