N-(2-bromo-4-methylphenyl)-2-[8-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(2-bromo-4-methylphenyl)-2-[8-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
N-(2-bromo-4-methylphenyl)-2-[8-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | M451-1907 |
| Compound Name: | N-(2-bromo-4-methylphenyl)-2-[8-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide |
| Molecular Weight: | 476.39 |
| Molecular Formula: | C20 H22 Br N5 O2 S |
| Smiles: | Cc1ccc(c(c1)[Br])NC(CN1C(N2C=CN=C(C2=N1)SC1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9686 |
| logD: | 3.9686 |
| logSw: | -3.9566 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.081 |
| InChI Key: | YZPZSKUPFZWWAA-UHFFFAOYSA-N |