methyl 4-(4-acetamido-5-oxo-5H-[1]benzopyrano[4,3-d]pyrimidin-2-yl)benzoate
Chemical Structure Depiction of
methyl 4-(4-acetamido-5-oxo-5H-[1]benzopyrano[4,3-d]pyrimidin-2-yl)benzoate
methyl 4-(4-acetamido-5-oxo-5H-[1]benzopyrano[4,3-d]pyrimidin-2-yl)benzoate
Compound characteristics
| Compound ID: | 5482-0034 |
| Compound Name: | methyl 4-(4-acetamido-5-oxo-5H-[1]benzopyrano[4,3-d]pyrimidin-2-yl)benzoate |
| Molecular Weight: | 389.37 |
| Molecular Formula: | C21 H15 N3 O5 |
| Smiles: | CC(Nc1c2C(=O)Oc3ccccc3c2nc(c2ccc(cc2)C(=O)OC)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5065 |
| logD: | 3.4942 |
| logSw: | -3.8913 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.125 |
| InChI Key: | YNNYHGOUIFULDG-UHFFFAOYSA-N |