1-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-4-ethylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-4-ethylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-4-ethylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F084-0206 |
| Compound Name: | 1-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-4-ethylthieno[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: | CCN1C(c2c(ccs2)n2c(CCC(N3CCN(CC3)Cc3ccc4c(c3)OCO4)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5903 |
| logD: | 1.2461 |
| logSw: | -2.4057 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.769 |
| InChI Key: | MLXXXFCJCHCKSS-UHFFFAOYSA-N |