N-(4-chloro-2-fluorophenyl)-2-{8-[(2-ethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Chemical Structure Depiction of
N-(4-chloro-2-fluorophenyl)-2-{8-[(2-ethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
N-(4-chloro-2-fluorophenyl)-2-{8-[(2-ethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | M451-2179 |
| Compound Name: | N-(4-chloro-2-fluorophenyl)-2-{8-[(2-ethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide |
| Molecular Weight: | 457.91 |
| Molecular Formula: | C21 H17 Cl F N5 O2 S |
| Smiles: | CCc1ccccc1SC1C2=NN(CC(Nc3ccc(cc3F)[Cl])=O)C(N2C=CN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0434 |
| logD: | 4.041 |
| logSw: | -4.31 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.889 |
| InChI Key: | WJIAITPYEUQXNU-UHFFFAOYSA-N |