2-[8-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(2,5-dimethoxyphenyl)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-(2,5-dimethoxyphenyl)acetamide
2-[8-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(2,5-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | M451-1752 |
| Compound Name: | 2-[8-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(2,5-dimethoxyphenyl)acetamide |
| Molecular Weight: | 485.95 |
| Molecular Formula: | C22 H20 Cl N5 O4 S |
| Smiles: | COc1ccc(c(c1)NC(CN1C(N2C=CN=C(C2=N1)SCc1ccc(cc1)[Cl])=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.6422 |
| logD: | 2.6421 |
| logSw: | -3.4274 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.063 |
| InChI Key: | RABXXHCLXDRQBU-UHFFFAOYSA-N |