N-(2H-1,3-benzodioxol-5-yl)-2-{8-[cyclohexyl(methyl)amino]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{8-[cyclohexyl(methyl)amino]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{8-[cyclohexyl(methyl)amino]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | M460-2414 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{8-[cyclohexyl(methyl)amino]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide |
| Molecular Weight: | 424.46 |
| Molecular Formula: | C21 H24 N6 O4 |
| Smiles: | CN(C1CCCCC1)C1C2=NN(CC(Nc3ccc4c(c3)OCO4)=O)C(N2C=CN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1641 |
| logD: | 2.1641 |
| logSw: | -2.9099 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.878 |
| InChI Key: | AUCIOKGVSZBHGX-UHFFFAOYSA-N |