7-bromo-9-methoxy-2-(3,4,5-trimethoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
7-bromo-9-methoxy-2-(3,4,5-trimethoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
7-bromo-9-methoxy-2-(3,4,5-trimethoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | E139-0344 |
| Compound Name: | 7-bromo-9-methoxy-2-(3,4,5-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: | COc1cc(cc2CC3=C(N=C(c4cc(c(c(c4)OC)OC)OC)NC3=O)Oc12)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.4264 |
| logD: | 3.3815 |
| logSw: | -3.7115 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.009 |
| InChI Key: | BVIGTHORSDXHHA-UHFFFAOYSA-N |