N-[2-(azepan-1-yl)ethyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamide
N-[2-(azepan-1-yl)ethyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | E020-0528 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamide |
| Molecular Weight: | 331.42 |
| Molecular Formula: | C17 H25 N5 O2 |
| Smiles: | CC1=NN(CC(NCCN2CCCCCC2)=O)C(c2cccn12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2258 |
| logD: | -0.2598 |
| logSw: | -2.0522 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.925 |
| InChI Key: | ZHGOSUAOOWBUOY-UHFFFAOYSA-N |