2-[8-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(2,4-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-[8-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(2,4-dimethoxyphenyl)acetamide
2-[8-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(2,4-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | M460-1461 |
| Compound Name: | 2-[8-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(2,4-dimethoxyphenyl)acetamide |
| Molecular Weight: | 426.47 |
| Molecular Formula: | C21 H26 N6 O4 |
| Smiles: | COc1ccc(c(c1)OC)NC(CN1C(N2C=CN=C(C2=N1)N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8954 |
| logD: | 1.8954 |
| logSw: | -2.7709 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.016 |
| InChI Key: | YHPDXISIMQMGQC-UHFFFAOYSA-N |