1-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-methyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-methyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-methyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | 8019-5929 |
| Compound Name: | 1-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-methyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 426.51 |
| Molecular Formula: | C20 H18 N4 O3 S2 |
| Smiles: | CN1C(c2c3CCCCc3sc2n2c1nnc2SCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8873 |
| logD: | 3.8873 |
| logSw: | -4.233 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.837 |
| InChI Key: | FGIHCYTYZSBWGS-UHFFFAOYSA-N |