3-[3-(4-methyl-3,5-dioxo-2-phenyl-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-(4-methyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
3-[3-(4-methyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
Compound characteristics
| Compound ID: | C066-5451 |
| Compound Name: | 3-[3-(4-methyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-1,2,4-oxadiazol-5-yl]propanoic acid |
| Molecular Weight: | 343.3 |
| Molecular Formula: | C15 H13 N5 O5 |
| Smiles: | CN1C(C(c2nc(CCC(O)=O)on2)=NN(C1=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1353 |
| logD: | -1.7043 |
| logSw: | -1.9378 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.009 |
| InChI Key: | NXZCJMJBNSUHIC-UHFFFAOYSA-N |