3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-sulfanylidene-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-sulfanylidene-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-sulfanylidene-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | C200-3813 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-sulfanylidene-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 352.37 |
| Molecular Formula: | C18 H12 N2 O4 S |
| Smiles: | C(c1ccc2c(c1)OCO2)N1C(c2c(c3ccccc3o2)NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5753 |
| logD: | 3.574 |
| logSw: | -3.8817 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.329 |
| InChI Key: | XLIRIGQECHWHQK-UHFFFAOYSA-N |