2-(2H-1,3-benzodioxol-5-yl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
2-(2H-1,3-benzodioxol-5-yl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 2191-2822 |
| Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 328.39 |
| Molecular Formula: | C17 H16 N2 O3 S |
| Smiles: | C1CCc2c(C1)c1C(NC(c3ccc4c(c3)OCO4)Nc1s2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1296 |
| logD: | 3.1296 |
| logSw: | -3.4345 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.315 |
| InChI Key: | YTADCGVJTOZUTC-OAHLLOKOSA-N |