N-(3-bromophenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(3-bromophenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2(3H)-yl]acetamide
N-(3-bromophenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | D579-0135 |
| Compound Name: | N-(3-bromophenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2(3H)-yl]acetamide |
| Molecular Weight: | 399.24 |
| Molecular Formula: | C18 H15 Br N4 O2 |
| Smiles: | Cc1ccc(cc1)C1C=NN(CC(Nc2cccc(c2)[Br])=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8508 |
| logD: | 3.8429 |
| logSw: | -3.904 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.211 |
| InChI Key: | ZYGFDAQCTZGPBH-UHFFFAOYSA-N |