7-(3-phenylpropanoyl)-2-propyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Chemical Structure Depiction of
7-(3-phenylpropanoyl)-2-propyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
7-(3-phenylpropanoyl)-2-propyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Compound characteristics
Compound ID: | S854-0517 |
Compound Name: | 7-(3-phenylpropanoyl)-2-propyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one |
Molecular Weight: | 314.39 |
Molecular Formula: | C17 H22 N4 O2 |
Smiles: | CCCN1C(N2CCN(CC2=N1)C(CCc1ccccc1)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.3395 |
logD: | 2.3392 |
logSw: | -2.3781 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 49.297 |
InChI Key: | BIHADVJZDBMLHC-UHFFFAOYSA-N |