methyl 4-(4-oxo-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-2-yl)benzoate
Chemical Structure Depiction of
methyl 4-(4-oxo-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-2-yl)benzoate
methyl 4-(4-oxo-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-2-yl)benzoate
Compound characteristics
| Compound ID: | E139-0545 |
| Compound Name: | methyl 4-(4-oxo-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-2-yl)benzoate |
| Molecular Weight: | 334.33 |
| Molecular Formula: | C19 H14 N2 O4 |
| Smiles: | COC(c1ccc(cc1)C1NC(C2Cc3ccccc3OC=2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3037 |
| logD: | 3.1011 |
| logSw: | -3.7018 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.891 |
| InChI Key: | BSEFRJJXYSQCDX-UHFFFAOYSA-N |