1-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-(2-phenylethyl)-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-phenylethyl)-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-phenylethyl)-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: | 8019-5925 |
| Compound Name: | 1-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-(2-phenylethyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 516.64 |
| Molecular Formula: | C27 H24 N4 O3 S2 |
| Smiles: | C1CCc2c(C1)c1C(N(CCc3ccccc3)c3nnc(n3c1s2)SCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8241 |
| logD: | 5.8241 |
| logSw: | -5.8543 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.778 |
| InChI Key: | INKGAJYRPIWVDL-UHFFFAOYSA-N |