1-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxobutyl)-4-methylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxobutyl)-4-methylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxobutyl)-4-methylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | E596-0114 |
| Compound Name: | 1-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxobutyl)-4-methylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 494.57 |
| Molecular Formula: | C24 H26 N6 O4 S |
| Smiles: | CN1C(c2c(ccs2)n2c(CCCC(N3CCN(CC3)Cc3ccc4c(c3)OCO4)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3334 |
| logD: | 0.9891 |
| logSw: | -2.3998 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.81 |
| InChI Key: | JPYMINLJAAPQTR-UHFFFAOYSA-N |