N-{[(4-ethyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}isoleucine
Chemical Structure Depiction of
N-{[(4-ethyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}isoleucine
N-{[(4-ethyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}isoleucine
Compound characteristics
| Compound ID: | Y042-8421 |
| Compound Name: | N-{[(4-ethyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}isoleucine |
| Molecular Weight: | 375.42 |
| Molecular Formula: | C20 H25 N O6 |
| Smiles: | CCC1=CC(=O)Oc2c1ccc(c2C)OCC(N[C@H](C(O)=O)[C@H](C)CC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.754 |
| logD: | -1.8331 |
| logSw: | -2.7216 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.147 |
| InChI Key: | QRDQSTNEKCZZRI-ZMZPIMSZSA-N |