3-{3-[2-(4-chlorophenyl)-4-ethyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}propanoic acid
Chemical Structure Depiction of
3-{3-[2-(4-chlorophenyl)-4-ethyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}propanoic acid
3-{3-[2-(4-chlorophenyl)-4-ethyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}propanoic acid
Compound characteristics
| Compound ID: | C066-5527 |
| Compound Name: | 3-{3-[2-(4-chlorophenyl)-4-ethyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}propanoic acid |
| Molecular Weight: | 391.77 |
| Molecular Formula: | C16 H14 Cl N5 O5 |
| Smiles: | CCN1C(C(c2nc(CCC(O)=O)on2)=NN(C1=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.0701 |
| logD: | -0.7694 |
| logSw: | -2.7002 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.968 |
| InChI Key: | JWDKYFMLNZIAKS-UHFFFAOYSA-N |