3-[3-(methoxycarbonyl)-2-oxo-2H,8H-pyrano[2,3-f][1,3]benzoxazin-9(10H)-yl]benzoic acid
Chemical Structure Depiction of
3-[3-(methoxycarbonyl)-2-oxo-2H,8H-pyrano[2,3-f][1,3]benzoxazin-9(10H)-yl]benzoic acid
3-[3-(methoxycarbonyl)-2-oxo-2H,8H-pyrano[2,3-f][1,3]benzoxazin-9(10H)-yl]benzoic acid
Compound characteristics
| Compound ID: | E754-0411 |
| Compound Name: | 3-[3-(methoxycarbonyl)-2-oxo-2H,8H-pyrano[2,3-f][1,3]benzoxazin-9(10H)-yl]benzoic acid |
| Molecular Weight: | 381.34 |
| Molecular Formula: | C20 H15 N O7 |
| Smiles: | COC(C1=Cc2ccc3c(CN(CO3)c3cccc(c3)C(O)=O)c2OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.377 |
| logD: | 0.6961 |
| logSw: | -3.791 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.731 |
| InChI Key: | YPLSOAJOTRJNLK-UHFFFAOYSA-N |