2-{[7-(2-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[7-(2-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
2-{[7-(2-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | G802-0187 |
| Compound Name: | 2-{[7-(2-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C22 H21 N5 O3 S |
| Smiles: | Cc1ccc(CNC(CSc2nnc3C(N(C=Cn23)c2ccccc2OC)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.7458 |
| logD: | 1.7458 |
| logSw: | -2.2008 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.503 |
| InChI Key: | PTBSYLGEBVXMFQ-UHFFFAOYSA-N |