methyl 4-(9-methyl-4-oxo-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-2-yl)benzoate
Chemical Structure Depiction of
methyl 4-(9-methyl-4-oxo-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-2-yl)benzoate
methyl 4-(9-methyl-4-oxo-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-2-yl)benzoate
Compound characteristics
| Compound ID: | E139-0548 |
| Compound Name: | methyl 4-(9-methyl-4-oxo-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-2-yl)benzoate |
| Molecular Weight: | 348.36 |
| Molecular Formula: | C20 H16 N2 O4 |
| Smiles: | Cc1cccc2CC3=C(N=C(c4ccc(cc4)C(=O)OC)NC3=O)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 3.765 |
| logD: | 3.5624 |
| logSw: | -4.2133 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.575 |
| InChI Key: | WSGXIJDCXZTRLD-UHFFFAOYSA-N |