methyl 4-[2-(3-oxo-5-phenyl-1,2,4-triazin-2(3H)-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-(3-oxo-5-phenyl-1,2,4-triazin-2(3H)-yl)acetamido]benzoate
methyl 4-[2-(3-oxo-5-phenyl-1,2,4-triazin-2(3H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | D579-0041 |
| Compound Name: | methyl 4-[2-(3-oxo-5-phenyl-1,2,4-triazin-2(3H)-yl)acetamido]benzoate |
| Molecular Weight: | 364.36 |
| Molecular Formula: | C19 H16 N4 O4 |
| Smiles: | COC(c1ccc(cc1)NC(CN1C(N=C(C=N1)c1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6051 |
| logD: | 2.6032 |
| logSw: | -3.0309 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.385 |
| InChI Key: | BXYJFXIQMMXVJU-UHFFFAOYSA-N |