N-{2-[(4-butyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}isoleucine
Chemical Structure Depiction of
N-{2-[(4-butyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}isoleucine
N-{2-[(4-butyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}isoleucine
Compound characteristics
| Compound ID: | Y040-8293 |
| Compound Name: | N-{2-[(4-butyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}isoleucine |
| Molecular Weight: | 403.47 |
| Molecular Formula: | C22 H29 N O6 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(ccc12)OC(C)C(N[C@H](C(O)=O)[C@H](C)CC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3923 |
| logD: | -1.1948 |
| logSw: | -2.9053 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.88 |
| InChI Key: | TWXJEQAZBVNJCP-ADKFOTCNSA-N |