2-[8-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-[3-(methylsulfanyl)phenyl]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-[3-(methylsulfanyl)phenyl]acetamide
2-[8-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | M451-1757 |
| Compound Name: | 2-[8-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 471.99 |
| Molecular Formula: | C21 H18 Cl N5 O2 S2 |
| Smiles: | CSc1cccc(c1)NC(CN1C(N2C=CN=C(C2=N1)SCc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4197 |
| logD: | 3.4197 |
| logSw: | -3.774 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.586 |
| InChI Key: | ZYEIGZPTUZCIFJ-UHFFFAOYSA-N |