3-[2-(2,5-dimethoxyphenyl)ethyl]-2-sulfanylidene-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
3-[2-(2,5-dimethoxyphenyl)ethyl]-2-sulfanylidene-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one
3-[2-(2,5-dimethoxyphenyl)ethyl]-2-sulfanylidene-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | C200-3809 |
| Compound Name: | 3-[2-(2,5-dimethoxyphenyl)ethyl]-2-sulfanylidene-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 382.44 |
| Molecular Formula: | C20 H18 N2 O4 S |
| Smiles: | COc1ccc(c(CCN2C(c3c(c4ccccc4o3)NC2=S)=O)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.9022 |
| logD: | 3.8911 |
| logSw: | -4.1503 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.366 |
| InChI Key: | YFEFVUMVARJMCM-UHFFFAOYSA-N |