7-{[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]methyl}-4,5,6-triethoxy-2-benzofuran-1(3H)-one
Chemical Structure Depiction of
7-{[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]methyl}-4,5,6-triethoxy-2-benzofuran-1(3H)-one
7-{[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]methyl}-4,5,6-triethoxy-2-benzofuran-1(3H)-one
Compound characteristics
| Compound ID: | 8019-3818 |
| Compound Name: | 7-{[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]methyl}-4,5,6-triethoxy-2-benzofuran-1(3H)-one |
| Molecular Weight: | 463.94 |
| Molecular Formula: | C22 H22 Cl N O6 S |
| Smiles: | CCOc1c2COC(c2c(CSc2nc3cc(ccc3o2)[Cl])c(c1OCC)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6873 |
| logD: | 5.6873 |
| logSw: | -6.1121 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.093 |
| InChI Key: | FUQZLFRJFFQRIQ-UHFFFAOYSA-N |