4-chloro-N-[(6,7-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]phenylalanine
Chemical Structure Depiction of
4-chloro-N-[(6,7-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]phenylalanine
4-chloro-N-[(6,7-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]phenylalanine
Compound characteristics
| Compound ID: | Y041-2324 |
| Compound Name: | 4-chloro-N-[(6,7-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]phenylalanine |
| Molecular Weight: | 459.88 |
| Molecular Formula: | C23 H22 Cl N O7 |
| Smiles: | CC1=C(CC(NC(Cc2ccc(cc2)[Cl])C(O)=O)=O)C(=O)Oc2cc(c(cc12)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2777 |
| logD: | -1.3129 |
| logSw: | -3.128 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.659 |
| InChI Key: | XGYDZBSEYGQZPQ-KRWDZBQOSA-N |