N-[(2H-1,3-benzodioxol-5-yl)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-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[3-oxo-8-(4-phenylpiperazin-1-yl)[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)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: | M460-4290 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[3-oxo-8-(4-phenylpiperazin-1-yl)[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide |
| Molecular Weight: | 487.52 |
| Molecular Formula: | C25 H25 N7 O4 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CN1C(N2C=CN=C(C2=N1)N1CCN(CC1)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7804 |
| logD: | 1.7804 |
| logSw: | -2.4035 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.907 |
| InChI Key: | AAOGJCJURGOBHB-UHFFFAOYSA-N |