7-bromo-2-(4-ethoxy-3-methoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
7-bromo-2-(4-ethoxy-3-methoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
7-bromo-2-(4-ethoxy-3-methoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | E139-0807 |
| Compound Name: | 7-bromo-2-(4-ethoxy-3-methoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 429.27 |
| Molecular Formula: | C20 H17 Br N2 O4 |
| Smiles: | CCOc1ccc(cc1OC)C1NC(C2Cc3cc(ccc3OC=2N=1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7511 |
| logD: | 3.7262 |
| logSw: | -4.1314 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.557 |
| InChI Key: | GVQMQNNMEJIMQF-UHFFFAOYSA-N |