4-(3-benzyl-4-methyl-2-oxo-2H,8H-pyrano[2,3-f][1,3]benzoxazin-9(10H)-yl)benzoic acid
Chemical Structure Depiction of
4-(3-benzyl-4-methyl-2-oxo-2H,8H-pyrano[2,3-f][1,3]benzoxazin-9(10H)-yl)benzoic acid
4-(3-benzyl-4-methyl-2-oxo-2H,8H-pyrano[2,3-f][1,3]benzoxazin-9(10H)-yl)benzoic acid
Compound characteristics
| Compound ID: | E754-0294 |
| Compound Name: | 4-(3-benzyl-4-methyl-2-oxo-2H,8H-pyrano[2,3-f][1,3]benzoxazin-9(10H)-yl)benzoic acid |
| Molecular Weight: | 427.46 |
| Molecular Formula: | C26 H21 N O5 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2c1ccc1c2CN(CO1)c1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6181 |
| logD: | 3.2229 |
| logSw: | -5.4821 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.285 |
| InChI Key: | PLSHNPPEYLMQMW-UHFFFAOYSA-N |