ethyl 2-{2-[8-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-[8-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamido}benzoate
ethyl 2-{2-[8-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | M451-1769 |
| Compound Name: | ethyl 2-{2-[8-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamido}benzoate |
| Molecular Weight: | 497.96 |
| Molecular Formula: | C23 H20 Cl N5 O4 S |
| Smiles: | CCOC(c1ccccc1NC(CN1C(N2C=CN=C(C2=N1)SCc1ccc(cc1)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.227 |
| logD: | 3.223 |
| logSw: | -3.8379 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.642 |
| InChI Key: | GEUFZSRHJPLINY-UHFFFAOYSA-N |