8-{[(4-chlorophenyl)methyl]sulfanyl}-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl][1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Chemical Structure Depiction of
8-{[(4-chlorophenyl)methyl]sulfanyl}-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl][1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
8-{[(4-chlorophenyl)methyl]sulfanyl}-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl][1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Compound characteristics
| Compound ID: | M451-2419 |
| Compound Name: | 8-{[(4-chlorophenyl)methyl]sulfanyl}-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl][1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one |
| Molecular Weight: | 495 |
| Molecular Formula: | C24 H23 Cl N6 O2 S |
| Smiles: | C1CN(CCN1C(CN1C(N2C=CN=C(C2=N1)SCc1ccc(cc1)[Cl])=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5437 |
| logD: | 2.5437 |
| logSw: | -2.8673 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.09 |
| InChI Key: | RKECQAHOAAKZLF-UHFFFAOYSA-N |