4-chloro-N-[(5-hydroxy-4,7-dimethyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]phenylalanine
Chemical Structure Depiction of
4-chloro-N-[(5-hydroxy-4,7-dimethyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]phenylalanine
4-chloro-N-[(5-hydroxy-4,7-dimethyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]phenylalanine
Compound characteristics
| Compound ID: | Y041-2326 |
| Compound Name: | 4-chloro-N-[(5-hydroxy-4,7-dimethyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]phenylalanine |
| Molecular Weight: | 429.86 |
| Molecular Formula: | C22 H20 Cl N O6 |
| Smiles: | CC1=C(CC(NC(Cc2ccc(cc2)[Cl])C(O)=O)=O)C(=O)Oc2cc(C)cc(c12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7533 |
| logD: | -0.8373 |
| logSw: | -3.1974 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.947 |
| InChI Key: | GAMCCUGULWMXAB-INIZCTEOSA-N |