7-bromo-2-(2-hydroxy-3-methoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
7-bromo-2-(2-hydroxy-3-methoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
7-bromo-2-(2-hydroxy-3-methoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | E139-0095 |
| Compound Name: | 7-bromo-2-(2-hydroxy-3-methoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 401.21 |
| Molecular Formula: | C18 H13 Br N2 O4 |
| Smiles: | COc1cccc(C2NC(C3Cc4cc(ccc4OC=3N=2)[Br])=O)c1O |
| Stereo: | ACHIRAL |
| logP: | 3.4417 |
| logD: | 3.2356 |
| logSw: | -3.6997 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.826 |
| InChI Key: | IXISGVGCIYWYMS-UHFFFAOYSA-N |