methyl 4-{2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2(3H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2(3H)-yl]acetamido}benzoate
methyl 4-{2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2(3H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | D579-0166 |
| Compound Name: | methyl 4-{2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2(3H)-yl]acetamido}benzoate |
| Molecular Weight: | 378.39 |
| Molecular Formula: | C20 H18 N4 O4 |
| Smiles: | Cc1ccc(cc1)C1C=NN(CC(Nc2ccc(cc2)C(=O)OC)=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1335 |
| logD: | 3.1256 |
| logSw: | -3.264 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.385 |
| InChI Key: | BGPZTAYFFZVTFK-UHFFFAOYSA-N |