N-(4-bromo-3-methylphenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamide
N-(4-bromo-3-methylphenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | E020-0452 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamide |
| Molecular Weight: | 375.22 |
| Molecular Formula: | C16 H15 Br N4 O2 |
| Smiles: | CC1=NN(CC(Nc2ccc(c(C)c2)[Br])=O)C(c2cccn12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3063 |
| logD: | 3.3062 |
| logSw: | -3.3783 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.448 |
| InChI Key: | NOCVSHBSMYFNLR-UHFFFAOYSA-N |