3-[(pyridin-3-yl)methyl]-2-sulfanylidene-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
3-[(pyridin-3-yl)methyl]-2-sulfanylidene-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one
3-[(pyridin-3-yl)methyl]-2-sulfanylidene-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | C200-3447 |
| Compound Name: | 3-[(pyridin-3-yl)methyl]-2-sulfanylidene-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 309.34 |
| Molecular Formula: | C16 H11 N3 O2 S |
| Smiles: | C(c1cccnc1)N1C(c2c(c3ccccc3o2)NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3909 |
| logD: | 2.39 |
| logSw: | -2.5122 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.731 |
| InChI Key: | XZIXKGFKSOOKAQ-UHFFFAOYSA-N |