4-[(4-methyl-2-oxo-2H,8H-pyrano[2,3-f][1,3]benzoxazin-9(10H)-yl)methyl]benzoic acid
Chemical Structure Depiction of
4-[(4-methyl-2-oxo-2H,8H-pyrano[2,3-f][1,3]benzoxazin-9(10H)-yl)methyl]benzoic acid
4-[(4-methyl-2-oxo-2H,8H-pyrano[2,3-f][1,3]benzoxazin-9(10H)-yl)methyl]benzoic acid
Compound characteristics
| Compound ID: | C202-1796 |
| Compound Name: | 4-[(4-methyl-2-oxo-2H,8H-pyrano[2,3-f][1,3]benzoxazin-9(10H)-yl)methyl]benzoic acid |
| Molecular Weight: | 351.36 |
| Molecular Formula: | C20 H17 N O5 |
| Smiles: | CC1=CC(=O)Oc2c1ccc1c2CN(Cc2ccc(cc2)C(O)=O)CO1 |
| Stereo: | ACHIRAL |
| logP: | 3.3102 |
| logD: | 0.3387 |
| logSw: | -3.4705 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.322 |
| InChI Key: | PHMRCLQRVOKUQE-UHFFFAOYSA-N |