7-bromo-9-methoxy-2-phenyl-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
7-bromo-9-methoxy-2-phenyl-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
7-bromo-9-methoxy-2-phenyl-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Compound characteristics
Compound ID: | E139-0332 |
Compound Name: | 7-bromo-9-methoxy-2-phenyl-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one |
Molecular Weight: | 385.21 |
Molecular Formula: | C18 H13 Br N2 O3 |
Smiles: | COc1cc(cc2CC3=C(N=C(c4ccccc4)NC3=O)Oc12)[Br] |
Stereo: | ACHIRAL |
logP: | 3.7411 |
logD: | 3.5806 |
logSw: | -4.1659 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 50.032 |
InChI Key: | ZHHNQUVYUOVOBY-UHFFFAOYSA-N |