1-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-(2-methylphenyl)-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-(2-methylphenyl)-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-(2-methylphenyl)-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: | 5218-2377 |
| Compound Name: | 1-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-(2-methylphenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 502.61 |
| Molecular Formula: | C26 H22 N4 O3 S2 |
| Smiles: | Cc1ccccc1N1C(c2c3CCCCc3sc2n2c1nnc2SCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6796 |
| logD: | 5.6796 |
| logSw: | -5.4254 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.887 |
| InChI Key: | GHWGUSFUIWSDDA-UHFFFAOYSA-N |