N-[(2-chlorophenyl)methyl]-2-{[7-(4-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-2-{[7-(4-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide
N-[(2-chlorophenyl)methyl]-2-{[7-(4-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G802-0431 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-2-{[7-(4-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 443.89 |
| Molecular Formula: | C20 H15 Cl F N5 O2 S |
| Smiles: | C(c1ccccc1[Cl])NC(CSc1nnc2C(N(C=Cn12)c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2282 |
| logD: | 2.2282 |
| logSw: | -2.9446 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.174 |
| InChI Key: | IQPVPBAROIBPER-UHFFFAOYSA-N |