3-(2-oxo-4-propyl-2H,8H-pyrano[2,3-f][1,3]benzoxazin-9(10H)-yl)benzoic acid
Chemical Structure Depiction of
3-(2-oxo-4-propyl-2H,8H-pyrano[2,3-f][1,3]benzoxazin-9(10H)-yl)benzoic acid
3-(2-oxo-4-propyl-2H,8H-pyrano[2,3-f][1,3]benzoxazin-9(10H)-yl)benzoic acid
Compound characteristics
| Compound ID: | E754-0128 |
| Compound Name: | 3-(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)c1cccc(c1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4962 |
| logD: | 1.8153 |
| logSw: | -4.4379 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.042 |
| InChI Key: | FBUMPJXSKDDSBJ-UHFFFAOYSA-N |