2-{[7-bromo-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
2-{[7-bromo-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
2-{[7-bromo-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C683-0340 |
| Compound Name: | 2-{[7-bromo-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 458.33 |
| Molecular Formula: | C20 H16 Br N3 O3 S |
| Smiles: | COc1ccc(cc1)c1nc2c(Cc3cc(ccc3O2)[Br])c(n1)SCC(N)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1384 |
| logD: | 5.131 |
| logSw: | -5.1698 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.334 |
| InChI Key: | NCJNVDHKXJTEQY-UHFFFAOYSA-N |