7-bromo-2-(3-ethoxy-2-hydroxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
7-bromo-2-(3-ethoxy-2-hydroxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
7-bromo-2-(3-ethoxy-2-hydroxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | E139-0100 |
| Compound Name: | 7-bromo-2-(3-ethoxy-2-hydroxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 415.24 |
| Molecular Formula: | C19 H15 Br N2 O4 |
| Smiles: | CCOc1cccc(C2NC(C3Cc4cc(ccc4OC=3N=2)[Br])=O)c1O |
| Stereo: | ACHIRAL |
| logP: | 3.874 |
| logD: | 3.6679 |
| logSw: | -3.9315 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.406 |
| InChI Key: | NJCGXMZTLMJQHL-UHFFFAOYSA-N |