2-(5-bromo-2-hydroxyphenyl)-7-methyl-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-(5-bromo-2-hydroxyphenyl)-7-methyl-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
2-(5-bromo-2-hydroxyphenyl)-7-methyl-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Compound characteristics
Compound ID: | E139-0196 |
Compound Name: | 2-(5-bromo-2-hydroxyphenyl)-7-methyl-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one |
Molecular Weight: | 385.21 |
Molecular Formula: | C18 H13 Br N2 O3 |
Smiles: | Cc1ccc2c(CC3=C(N=C(c4cc(ccc4O)[Br])NC3=O)O2)c1 |
Stereo: | ACHIRAL |
logP: | 4.456 |
logD: | 3.1504 |
logSw: | -4.014 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 59.265 |
InChI Key: | YAXWBPDJGKGPPR-UHFFFAOYSA-N |