N-{[(3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}isoleucine
Chemical Structure Depiction of
N-{[(3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}isoleucine
N-{[(3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}isoleucine
Compound characteristics
| Compound ID: | Y042-8542 |
| Compound Name: | N-{[(3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}isoleucine |
| Molecular Weight: | 431.53 |
| Molecular Formula: | C24 H33 N O6 |
| Smiles: | CCCCCCC1=C(C)c2ccc(cc2OC1=O)OCC(N[C@H](C(O)=O)[C@H](C)CC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8971 |
| logD: | 0.3099 |
| logSw: | -3.7997 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.891 |
| InChI Key: | AWLUIRILKQIGOQ-QRQCRPRQSA-N |