N-[(4-ethyl-7-hydroxy-2-oxo-2H-1-benzopyran-8-yl)methyl]-D-phenylalanine
Chemical Structure Depiction of
N-[(4-ethyl-7-hydroxy-2-oxo-2H-1-benzopyran-8-yl)methyl]-D-phenylalanine
N-[(4-ethyl-7-hydroxy-2-oxo-2H-1-benzopyran-8-yl)methyl]-D-phenylalanine
Compound characteristics
| Compound ID: | Y042-8702 |
| Compound Name: | N-[(4-ethyl-7-hydroxy-2-oxo-2H-1-benzopyran-8-yl)methyl]-D-phenylalanine |
| Molecular Weight: | 367.4 |
| Molecular Formula: | C21 H21 N O5 |
| Smiles: | CCC1=CC(=O)Oc2c1ccc(c2CN[C@H](Cc1ccccc1)C(O)=O)O |
| Stereo: | ABSOLUTE |
| logP: | 1.8596 |
| logD: | -0.8392 |
| logSw: | -2.7644 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.473 |
| InChI Key: | KFSANEVZNCAVEL-KRWDZBQOSA-N |