2-(2H-1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-(2H-1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 8010-7883 |
| Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 326.37 |
| Molecular Formula: | C17 H14 N2 O3 S |
| Smiles: | C1CCc2c(C1)c1C(NC(c3ccc4c(c3)OCO4)=Nc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5844 |
| logD: | 3.578 |
| logSw: | -4.1431 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.829 |
| InChI Key: | QTTROPWBMXSVPQ-UHFFFAOYSA-N |