2-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-8-[(3-methylphenyl)sulfanyl][1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Chemical Structure Depiction of
2-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-8-[(3-methylphenyl)sulfanyl][1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
2-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-8-[(3-methylphenyl)sulfanyl][1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Compound characteristics
| Compound ID: | M451-0869 |
| Compound Name: | 2-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-8-[(3-methylphenyl)sulfanyl][1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one |
| Molecular Weight: | 490.58 |
| Molecular Formula: | C25 H26 N6 O3 S |
| Smiles: | Cc1cccc(c1)SC1C2=NN(CC(N3CCN(CC3)c3ccc(cc3)OC)=O)C(N2C=CN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7284 |
| logD: | 2.7279 |
| logSw: | -3.0728 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.634 |
| InChI Key: | KYULJDHQEHBYAK-UHFFFAOYSA-N |