2-[8-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(4-cyanophenyl)acetamide
Chemical Structure Depiction of
2-[8-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(4-cyanophenyl)acetamide
2-[8-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(4-cyanophenyl)acetamide
Compound characteristics
| Compound ID: | M451-1765 |
| Compound Name: | 2-[8-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(4-cyanophenyl)acetamide |
| Molecular Weight: | 450.9 |
| Molecular Formula: | C21 H15 Cl N6 O2 S |
| Smiles: | C(C(Nc1ccc(C#N)cc1)=O)N1C(N2C=CN=C(C2=N1)SCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.6132 |
| logD: | 2.6131 |
| logSw: | -3.4685 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.643 |
| InChI Key: | QZXNUFVPGAJUEG-UHFFFAOYSA-N |