5-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-4-ethyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-4-ethyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-4-ethyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0036 |
| Compound Name: | 5-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-4-ethyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 383.24 |
| Molecular Formula: | C15 H19 Br N4 O3 |
| Smiles: | CCN1C(C2CCN(CC2)C(c2ccc(o2)[Br])=O)=NN(C)C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.2785 |
| logD: | 2.2777 |
| logSw: | -2.1983 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.667 |
| InChI Key: | DBSRTBOXTHWSGM-UHFFFAOYSA-N |