[(9-ethoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetic acid
Chemical Structure Depiction of
[(9-ethoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetic acid
[(9-ethoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetic acid
Compound characteristics
| Compound ID: | C683-0131 |
| Compound Name: | [(9-ethoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetic acid |
| Molecular Weight: | 394.45 |
| Molecular Formula: | C21 H18 N2 O4 S |
| Smiles: | CCOc1cccc2Cc3c(nc(c4ccccc4)nc3SCC(O)=O)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 4.9969 |
| logD: | 1.5318 |
| logSw: | -4.6543 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.681 |
| InChI Key: | IJEFSWKIDREKBX-UHFFFAOYSA-N |