methyl {[9-ethoxy-2-(4-ethoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[9-ethoxy-2-(4-ethoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetate
methyl {[9-ethoxy-2-(4-ethoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | C683-0419 |
| Compound Name: | methyl {[9-ethoxy-2-(4-ethoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetate |
| Molecular Weight: | 452.53 |
| Molecular Formula: | C24 H24 N2 O5 S |
| Smiles: | CCOc1ccc(cc1)c1nc2c(Cc3cccc(c3O2)OCC)c(n1)SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 6.0015 |
| logD: | 5.9984 |
| logSw: | -5.5242 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 60.999 |
| InChI Key: | QJTCLTBQHATWCJ-UHFFFAOYSA-N |