N-{[(4-ethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}isoleucine
Chemical Structure Depiction of
N-{[(4-ethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}isoleucine
N-{[(4-ethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}isoleucine
Compound characteristics
| Compound ID: | D715-0339 |
| Compound Name: | N-{[(4-ethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}isoleucine |
| Molecular Weight: | 361.39 |
| Molecular Formula: | C19 H23 N O6 |
| Smiles: | CCC1=CC(=O)Oc2cc(ccc12)OCC(N[C@H](C(O)=O)[C@H](C)CC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.1715 |
| logD: | -2.4157 |
| logSw: | -2.4883 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.377 |
| InChI Key: | MRAFGCJDNGSOEL-ZMZPIMSZSA-N |