N-(4-bromo-3-methylphenyl)-2-[3-oxo-8-(phenylsulfanyl)[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-2-[3-oxo-8-(phenylsulfanyl)[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
N-(4-bromo-3-methylphenyl)-2-[3-oxo-8-(phenylsulfanyl)[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | M451-0322 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-2-[3-oxo-8-(phenylsulfanyl)[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide |
| Molecular Weight: | 470.35 |
| Molecular Formula: | C20 H16 Br N5 O2 S |
| Smiles: | Cc1cc(ccc1[Br])NC(CN1C(N2C=CN=C(C2=N1)Sc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7748 |
| logD: | 3.7748 |
| logSw: | -3.8974 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.586 |
| InChI Key: | LCYWUTGEENQUCO-UHFFFAOYSA-N |