3-(3-ethyl-4-methyl-2-oxo-2H,8H-pyrano[2,3-f][1,3]benzoxazin-9(10H)-yl)benzoic acid
Chemical Structure Depiction of
3-(3-ethyl-4-methyl-2-oxo-2H,8H-pyrano[2,3-f][1,3]benzoxazin-9(10H)-yl)benzoic acid
3-(3-ethyl-4-methyl-2-oxo-2H,8H-pyrano[2,3-f][1,3]benzoxazin-9(10H)-yl)benzoic acid
Compound characteristics
| Compound ID: | C202-2328 |
| Compound Name: | 3-(3-ethyl-4-methyl-2-oxo-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: | CCC1=C(C)c2ccc3c(CN(CO3)c3cccc(c3)C(O)=O)c2OC1=O |
| Stereo: | ACHIRAL |
| logP: | 4.4951 |
| logD: | 1.8142 |
| logSw: | -4.3796 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.557 |
| InChI Key: | JQOBRGPXWZLTTH-UHFFFAOYSA-N |