methyl {[2-(4-ethoxyphenyl)-7-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[2-(4-ethoxyphenyl)-7-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetate
methyl {[2-(4-ethoxyphenyl)-7-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | C683-0395 |
| Compound Name: | methyl {[2-(4-ethoxyphenyl)-7-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetate |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C23 H22 N2 O4 S |
| Smiles: | CCOc1ccc(cc1)c1nc2c(Cc3cc(C)ccc3O2)c(n1)SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.945 |
| logD: | 5.9419 |
| logSw: | -5.4863 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.105 |
| InChI Key: | YYDTZCKSTQQPJI-UHFFFAOYSA-N |