{[7-bromo-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetic acid
Chemical Structure Depiction of
{[7-bromo-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetic acid
{[7-bromo-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetic acid
Compound characteristics
| Compound ID: | C683-0338 |
| Compound Name: | {[7-bromo-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetic acid |
| Molecular Weight: | 459.32 |
| Molecular Formula: | C20 H15 Br N2 O4 S |
| Smiles: | COc1ccc(cc1)c1nc2c(Cc3cc(ccc3O2)[Br])c(n1)SCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3889 |
| logD: | 1.9238 |
| logSw: | -5.4257 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.33 |
| InChI Key: | TUILGKKGKALUPW-UHFFFAOYSA-N |