3-[3-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]-N-(prop-2-yn-1-yl)propanamide
Chemical Structure Depiction of
3-[3-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]-N-(prop-2-yn-1-yl)propanamide
3-[3-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]-N-(prop-2-yn-1-yl)propanamide
Compound characteristics
| Compound ID: | V026-8917 |
| Compound Name: | 3-[3-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]-N-(prop-2-yn-1-yl)propanamide |
| Molecular Weight: | 312.33 |
| Molecular Formula: | C16 H16 N4 O3 |
| Smiles: | COc1ccc(cc1)C1NN=C(CCC(NCC#C)=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7 |
| logD: | -0.2413 |
| logSw: | -1.7813 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.436 |
| InChI Key: | ZSMHULYTBAQLFU-UHFFFAOYSA-N |