2-[8-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(5-chloro-2-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-(5-chloro-2-methylphenyl)acetamide
2-[8-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(5-chloro-2-methylphenyl)acetamide
Compound characteristics
Compound ID: | M460-1529 |
Compound Name: | 2-[8-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(5-chloro-2-methylphenyl)acetamide |
Molecular Weight: | 414.89 |
Molecular Formula: | C20 H23 Cl N6 O2 |
Smiles: | Cc1ccc(cc1NC(CN1C(N2C=CN=C(C2=N1)N1CCCCCC1)=O)=O)[Cl] |
Stereo: | ACHIRAL |
logP: | 2.6074 |
logD: | 2.6073 |
logSw: | -3.3302 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.842 |
InChI Key: | MSWSUEGENXJMRU-UHFFFAOYSA-N |