methyl {[7-bromo-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[7-bromo-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetate
methyl {[7-bromo-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | C683-0339 |
| Compound Name: | methyl {[7-bromo-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetate |
| Molecular Weight: | 473.34 |
| Molecular Formula: | C21 H17 Br N2 O4 S |
| Smiles: | COC(CSc1c2Cc3cc(ccc3Oc2nc(c2ccc(cc2)OC)n1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.9195 |
| logD: | 5.912 |
| logSw: | -5.5558 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.525 |
| InChI Key: | VBOSDQJQIHPWMA-UHFFFAOYSA-N |