methyl 4-(9-ethoxy-4-oxo-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-2-yl)benzoate
Chemical Structure Depiction of
methyl 4-(9-ethoxy-4-oxo-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-2-yl)benzoate
methyl 4-(9-ethoxy-4-oxo-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-2-yl)benzoate
Compound characteristics
Compound ID: | E139-0550 |
Compound Name: | methyl 4-(9-ethoxy-4-oxo-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-2-yl)benzoate |
Molecular Weight: | 378.38 |
Molecular Formula: | C21 H18 N2 O5 |
Smiles: | CCOc1cccc2CC3=C(N=C(c4ccc(cc4)C(=O)OC)NC3=O)Oc12 |
Stereo: | ACHIRAL |
logP: | 3.6541 |
logD: | 3.451 |
logSw: | -3.9416 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 70.785 |
InChI Key: | HICSTAMPIVNKQR-UHFFFAOYSA-N |