2-(5-bromo-2-hydroxyphenyl)-9-methoxy-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-(5-bromo-2-hydroxyphenyl)-9-methoxy-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
2-(5-bromo-2-hydroxyphenyl)-9-methoxy-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | E139-0130 |
| Compound Name: | 2-(5-bromo-2-hydroxyphenyl)-9-methoxy-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 401.21 |
| Molecular Formula: | C18 H13 Br N2 O4 |
| Smiles: | COc1cccc2CC3=C(N=C(c4cc(ccc4O)[Br])NC3=O)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 4.0041 |
| logD: | 2.6985 |
| logSw: | -3.9895 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.58 |
| InChI Key: | DELVAPMFNUVBOR-UHFFFAOYSA-N |