N-(2H-1,3-benzodioxol-5-yl)-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)-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)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | M460-4005 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide |
| Molecular Weight: | 473.49 |
| Molecular Formula: | C24 H23 N7 O4 |
| Smiles: | C1CN(CCN1C1C2=NN(CC(Nc3ccc4c(c3)OCO4)=O)C(N2C=CN=1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.1227 |
| logD: | 2.1226 |
| logSw: | -3.0564 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.585 |
| InChI Key: | WAIQWXQZDRAVGC-UHFFFAOYSA-N |