5-[1-(3-chloro-4-methoxybenzene-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-chloro-4-methoxybenzene-1-sulfonyl)piperidin-4-yl]-4-ethyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(3-chloro-4-methoxybenzene-1-sulfonyl)piperidin-4-yl]-4-ethyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0292 |
| Compound Name: | 5-[1-(3-chloro-4-methoxybenzene-1-sulfonyl)piperidin-4-yl]-4-ethyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 414.91 |
| Molecular Formula: | C17 H23 Cl N4 O4 S |
| Smiles: | CCN1C(C2CCN(CC2)S(c2ccc(c(c2)[Cl])OC)(=O)=O)=NN(C)C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.6128 |
| logD: | 2.6123 |
| logSw: | -3.1078 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.434 |
| InChI Key: | VGKWGFYNLRBAFL-UHFFFAOYSA-N |