4,5,6-trimethoxy-7-{[(pyrimidin-2-yl)sulfanyl]methyl}-2-benzofuran-1(3H)-one
Chemical Structure Depiction of
4,5,6-trimethoxy-7-{[(pyrimidin-2-yl)sulfanyl]methyl}-2-benzofuran-1(3H)-one
4,5,6-trimethoxy-7-{[(pyrimidin-2-yl)sulfanyl]methyl}-2-benzofuran-1(3H)-one
Compound characteristics
| Compound ID: | 8019-3781 |
| Compound Name: | 4,5,6-trimethoxy-7-{[(pyrimidin-2-yl)sulfanyl]methyl}-2-benzofuran-1(3H)-one |
| Molecular Weight: | 348.38 |
| Molecular Formula: | C16 H16 N2 O5 S |
| Smiles: | COc1c2COC(c2c(CSc2ncccn2)c(c1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0833 |
| logD: | 2.0833 |
| logSw: | -2.063 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.848 |
| InChI Key: | YHXSGABLVWGZKO-UHFFFAOYSA-N |