2-[8-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(2,4,6-trimethylphenyl)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-(2,4,6-trimethylphenyl)acetamide
2-[8-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(2,4,6-trimethylphenyl)acetamide
Compound characteristics
| Compound ID: | M451-1735 |
| Compound Name: | 2-[8-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(2,4,6-trimethylphenyl)acetamide |
| Molecular Weight: | 467.98 |
| Molecular Formula: | C23 H22 Cl N5 O2 S |
| Smiles: | Cc1cc(C)c(c(C)c1)NC(CN1C(N2C=CN=C(C2=N1)SCc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.472 |
| logD: | 3.472 |
| logSw: | -3.8238 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.191 |
| InChI Key: | QEBRYJZGHYMIEE-UHFFFAOYSA-N |