N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamide
N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | E020-0397 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamide |
| Molecular Weight: | 344.8 |
| Molecular Formula: | C17 H17 Cl N4 O2 |
| Smiles: | CC1=NN(CC(NCCc2ccc(cc2)[Cl])=O)C(c2cccn12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0789 |
| logD: | 2.0789 |
| logSw: | -2.9894 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.612 |
| InChI Key: | WJSZKAYIFPHBBU-UHFFFAOYSA-N |