3-[(3-methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
3-[(3-methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one
3-[(3-methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | C200-3451 |
| Compound Name: | 3-[(3-methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 338.38 |
| Molecular Formula: | C18 H14 N2 O3 S |
| Smiles: | COc1cccc(CN2C(c3c(c4ccccc4o3)NC2=S)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.7595 |
| logD: | 3.7582 |
| logSw: | -4.2031 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.757 |
| InChI Key: | HYGINYJKDVFMEG-UHFFFAOYSA-N |