methyl 4-{2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2(3H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2(3H)-yl]acetamido}benzoate
methyl 4-{2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2(3H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | D579-0416 |
| Compound Name: | methyl 4-{2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2(3H)-yl]acetamido}benzoate |
| Molecular Weight: | 398.8 |
| Molecular Formula: | C19 H15 Cl N4 O4 |
| Smiles: | COC(c1ccc(cc1)NC(CN1C(N=C(C=N1)c1ccc(cc1)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3049 |
| logD: | 3.3038 |
| logSw: | -3.858 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.385 |
| InChI Key: | CMAPEBRQUYTGQS-UHFFFAOYSA-N |