7-bromo-2-(3-ethoxyphenyl)-9-methoxy-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
7-bromo-2-(3-ethoxyphenyl)-9-methoxy-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
7-bromo-2-(3-ethoxyphenyl)-9-methoxy-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | E139-0340 |
| Compound Name: | 7-bromo-2-(3-ethoxyphenyl)-9-methoxy-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 429.27 |
| Molecular Formula: | C20 H17 Br N2 O4 |
| Smiles: | CCOc1cccc(c1)C1NC(C2Cc3cc(cc(c3OC=2N=1)OC)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2182 |
| logD: | 4.1611 |
| logSw: | -4.4395 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.155 |
| InChI Key: | LJVFQGICPDPQAN-UHFFFAOYSA-N |