N-[(3-hexyl-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl]isoleucine
Chemical Structure Depiction of
N-[(3-hexyl-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl]isoleucine
N-[(3-hexyl-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl]isoleucine
Compound characteristics
| Compound ID: | Y042-8711 |
| Compound Name: | N-[(3-hexyl-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl]isoleucine |
| Molecular Weight: | 403.52 |
| Molecular Formula: | C23 H33 N O5 |
| Smiles: | CCCCCCC1=C(C)c2ccc(c(CN[C@H](C(O)=O)[C@H](C)CC)c2OC1=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0851 |
| logD: | 1.3898 |
| logSw: | -3.9122 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.981 |
| InChI Key: | YYECOTLRINGOBL-VLIAUNLRSA-N |