2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-[(4-methylphenyl)methyl]acetamide
2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | M451-3089 |
| Compound Name: | 2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 433.53 |
| Molecular Formula: | C23 H23 N5 O2 S |
| Smiles: | Cc1ccc(CNC(CN2C(N3C=CN=C(C3=N2)Sc2ccc(C)cc2C)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.65 |
| logD: | 3.65 |
| logSw: | -3.7075 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.909 |
| InChI Key: | XMELFMUXANRITK-UHFFFAOYSA-N |