2-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
2-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
2-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 4241-0012 |
| Compound Name: | 2-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 354.43 |
| Molecular Formula: | C19 H18 N2 O3 S |
| Smiles: | C1CCc2c(C1)c1C(NC(/C=C\c3ccc4c(c3)OCO4)Nc1s2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0536 |
| logD: | 4.0536 |
| logSw: | -4.3717 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.527 |
| InChI Key: | LNCSAIYNAFILDP-MRXNPFEDSA-N |