N-(2-chlorophenyl)-2-[8-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(2-chlorophenyl)-2-[8-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
N-(2-chlorophenyl)-2-[8-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | M460-2021 |
| Compound Name: | N-(2-chlorophenyl)-2-[8-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide |
| Molecular Weight: | 434.88 |
| Molecular Formula: | C22 H19 Cl N6 O2 |
| Smiles: | C1CN(Cc2ccccc12)C1C2=NN(CC(Nc3ccccc3[Cl])=O)C(N2C=CN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5481 |
| logD: | 2.5481 |
| logSw: | -3.0431 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.173 |
| InChI Key: | UCDCOPFEQMZEPQ-UHFFFAOYSA-N |