N-{[4-(methylsulfanyl)phenyl]methyl}-2-[3-oxo-8-(4-phenylpiperazin-1-yl)[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-2-[3-oxo-8-(4-phenylpiperazin-1-yl)[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
N-{[4-(methylsulfanyl)phenyl]methyl}-2-[3-oxo-8-(4-phenylpiperazin-1-yl)[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | M460-4291 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-2-[3-oxo-8-(4-phenylpiperazin-1-yl)[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide |
| Molecular Weight: | 489.6 |
| Molecular Formula: | C25 H27 N7 O2 S |
| Smiles: | CSc1ccc(CNC(CN2C(N3C=CN=C(C3=N2)N2CCN(CC2)c2ccccc2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5866 |
| logD: | 2.5866 |
| logSw: | -2.8148 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.791 |
| InChI Key: | GSRGENNRNVIZCF-UHFFFAOYSA-N |