N-{2-[(4-ethyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}isoleucine
Chemical Structure Depiction of
N-{2-[(4-ethyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}isoleucine
N-{2-[(4-ethyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}isoleucine
Compound characteristics
| Compound ID: | Y040-8252 |
| Compound Name: | N-{2-[(4-ethyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}isoleucine |
| Molecular Weight: | 389.45 |
| Molecular Formula: | C21 H27 N O6 |
| Smiles: | CCC1=CC(=O)Oc2c1ccc(c2C)OC(C)C(N[C@H](C(O)=O)[C@H](C)CC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1368 |
| logD: | -1.4503 |
| logSw: | -2.9537 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.651 |
| InChI Key: | GDLHEECSLQKGOI-ARZWFYJMSA-N |