5-[1-(3-bromobenzene-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-bromobenzene-1-sulfonyl)piperidin-4-yl]-4-ethyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(3-bromobenzene-1-sulfonyl)piperidin-4-yl]-4-ethyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0085 |
| Compound Name: | 5-[1-(3-bromobenzene-1-sulfonyl)piperidin-4-yl]-4-ethyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 429.33 |
| Molecular Formula: | C16 H21 Br N4 O3 S |
| Smiles: | CCN1C(C2CCN(CC2)S(c2cccc(c2)[Br])(=O)=O)=NN(C)C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.0638 |
| logD: | 3.0633 |
| logSw: | -3.2032 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.804 |
| InChI Key: | NNMVYDZAXJMZBL-UHFFFAOYSA-N |