methyl 4-{2-[5-(3-methoxyphenyl)-3-oxo-1,2,4-triazin-2(3H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[5-(3-methoxyphenyl)-3-oxo-1,2,4-triazin-2(3H)-yl]acetamido}benzoate
methyl 4-{2-[5-(3-methoxyphenyl)-3-oxo-1,2,4-triazin-2(3H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | D579-0540 |
| Compound Name: | methyl 4-{2-[5-(3-methoxyphenyl)-3-oxo-1,2,4-triazin-2(3H)-yl]acetamido}benzoate |
| Molecular Weight: | 394.39 |
| Molecular Formula: | C20 H18 N4 O5 |
| Smiles: | COC(c1ccc(cc1)NC(CN1C(N=C(C=N1)c1cccc(c1)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7288 |
| logD: | 2.7209 |
| logSw: | -3.2026 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.928 |
| InChI Key: | PEHXLNJKEHDGES-UHFFFAOYSA-N |