N-(4-cyanophenyl)-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-(4-cyanophenyl)-2-[8-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
N-(4-cyanophenyl)-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: | M460-2004 |
| Compound Name: | N-(4-cyanophenyl)-2-[8-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide |
| Molecular Weight: | 425.45 |
| Molecular Formula: | C23 H19 N7 O2 |
| Smiles: | C1CN(Cc2ccccc12)C1C2=NN(CC(Nc3ccc(C#N)cc3)=O)C(N2C=CN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1518 |
| logD: | 2.1517 |
| logSw: | -2.7099 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.927 |
| InChI Key: | FJMYWXNJNMUHCO-UHFFFAOYSA-N |