N-{[(4-butyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}isoleucine
Chemical Structure Depiction of
N-{[(4-butyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}isoleucine
N-{[(4-butyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}isoleucine
Compound characteristics
| Compound ID: | Y040-8286 |
| Compound Name: | N-{[(4-butyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}isoleucine |
| Molecular Weight: | 389.45 |
| Molecular Formula: | C21 H27 N O6 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(ccc12)OCC(N[C@H](C(O)=O)[C@H](C)CC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1646 |
| logD: | -1.4225 |
| logSw: | -2.8599 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.377 |
| InChI Key: | QWTOCYKCNRKJNE-XCLFUZPHSA-N |