7-bromo-9-methoxy-2-(2,3,4-trimethoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
7-bromo-9-methoxy-2-(2,3,4-trimethoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
7-bromo-9-methoxy-2-(2,3,4-trimethoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | E139-0345 |
| Compound Name: | 7-bromo-9-methoxy-2-(2,3,4-trimethoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 475.29 |
| Molecular Formula: | C21 H19 Br N2 O6 |
| Smiles: | COc1ccc(C2NC(C3Cc4cc(cc(c4OC=3N=2)OC)[Br])=O)c(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.5187 |
| logD: | 3.212 |
| logSw: | -3.7837 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.096 |
| InChI Key: | YEEMQQSQTIRGIC-UHFFFAOYSA-N |