4-(2-oxo-4-propyl-2H,8H-pyrano[2,3-f][1,3]benzoxazin-9(10H)-yl)benzoic acid
Chemical Structure Depiction of
4-(2-oxo-4-propyl-2H,8H-pyrano[2,3-f][1,3]benzoxazin-9(10H)-yl)benzoic acid
4-(2-oxo-4-propyl-2H,8H-pyrano[2,3-f][1,3]benzoxazin-9(10H)-yl)benzoic acid
Compound characteristics
| Compound ID: | E754-0124 |
| Compound Name: | 4-(2-oxo-4-propyl-2H,8H-pyrano[2,3-f][1,3]benzoxazin-9(10H)-yl)benzoic acid |
| Molecular Weight: | 365.38 |
| Molecular Formula: | C21 H19 N O5 |
| Smiles: | CCCC1=CC(=O)Oc2c1ccc1c2CN(CO1)c1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5846 |
| logD: | 2.1894 |
| logSw: | -4.3541 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.042 |
| InChI Key: | CQDYLZDFDPWQEV-UHFFFAOYSA-N |