methyl 4-{[(3-methyl-5-oxo-6-phenyl-1,2,4-triazin-4(5H)-yl)imino]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(3-methyl-5-oxo-6-phenyl-1,2,4-triazin-4(5H)-yl)imino]methyl}benzoate
methyl 4-{[(3-methyl-5-oxo-6-phenyl-1,2,4-triazin-4(5H)-yl)imino]methyl}benzoate
Compound characteristics
| Compound ID: | 8014-0158 |
| Compound Name: | methyl 4-{[(3-methyl-5-oxo-6-phenyl-1,2,4-triazin-4(5H)-yl)imino]methyl}benzoate |
| Molecular Weight: | 348.36 |
| Molecular Formula: | C19 H16 N4 O3 |
| Smiles: | CC1=NN=C(C(N1/N=C/c1ccc(cc1)C(=O)OC)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8487 |
| logD: | 2.8181 |
| logSw: | -3.1068 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.269 |
| InChI Key: | XLHAALDGFWKHEN-UHFFFAOYSA-N |