N-(3-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-(3-chlorophenyl)-2-[8-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
N-(3-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: | M460-2022 |
| Compound Name: | N-(3-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(Nc3cccc(c3)[Cl])=O)C(N2C=CN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2509 |
| logD: | 3.2509 |
| logSw: | -3.4962 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.871 |
| InChI Key: | IDFKIBQYDDCQGE-UHFFFAOYSA-N |