N-(2H-1,3-benzodioxol-5-yl)-2-{[2-(4-fluorophenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[2-(4-fluorophenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[2-(4-fluorophenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C683-0516 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[2-(4-fluorophenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 487.51 |
| Molecular Formula: | C26 H18 F N3 O4 S |
| Smiles: | C1c2ccccc2Oc2c1c(nc(c1ccc(cc1)F)n2)SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5335 |
| logD: | 6.5304 |
| logSw: | -6.2211 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.396 |
| InChI Key: | WIJYETBVSSDRDD-UHFFFAOYSA-N |