2-[8-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(2-chloro-4-methylphenyl)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-chloro-4-methylphenyl)acetamide
2-[8-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(2-chloro-4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | M460-1534 |
| Compound Name: | 2-[8-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(2-chloro-4-methylphenyl)acetamide |
| Molecular Weight: | 414.89 |
| Molecular Formula: | C20 H23 Cl N6 O2 |
| Smiles: | Cc1ccc(c(c1)[Cl])NC(CN1C(N2C=CN=C(C2=N1)N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.874 |
| logD: | 2.874 |
| logSw: | -3.3223 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.842 |
| InChI Key: | MBJNVRNUEXYUNZ-UHFFFAOYSA-N |