4-(4-methyl-2-oxo-2H,8H-pyrano[2,3-f][1,3]benzoxazin-9(10H)-yl)benzoic acid
Chemical Structure Depiction of
4-(4-methyl-2-oxo-2H,8H-pyrano[2,3-f][1,3]benzoxazin-9(10H)-yl)benzoic acid
4-(4-methyl-2-oxo-2H,8H-pyrano[2,3-f][1,3]benzoxazin-9(10H)-yl)benzoic acid
Compound characteristics
| Compound ID: | C202-1792 |
| Compound Name: | 4-(4-methyl-2-oxo-2H,8H-pyrano[2,3-f][1,3]benzoxazin-9(10H)-yl)benzoic acid |
| Molecular Weight: | 337.33 |
| Molecular Formula: | C19 H15 N O5 |
| Smiles: | CC1=CC(=O)Oc2c1ccc1c2CN(CO1)c1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6615 |
| logD: | 1.2663 |
| logSw: | -3.9097 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.042 |
| InChI Key: | XCBPQAZIBWIWFJ-UHFFFAOYSA-N |