N-[2-(azepan-1-yl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetamide
N-[2-(azepan-1-yl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetamide
Compound characteristics
| Compound ID: | E016-0219 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetamide |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C22 H28 N6 O3 |
| Smiles: | COc1ccc(cc1)c1cc2C(N(CC(NCCN3CCCCCC3)=O)N=Cn2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5884 |
| logD: | 0.1028 |
| logSw: | -2.3514 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.316 |
| InChI Key: | RDYJWRIIPXIOGJ-UHFFFAOYSA-N |