N-[(4-butyl-7-hydroxy-2-oxo-2H-1-benzopyran-8-yl)methyl]isoleucine
Chemical Structure Depiction of
N-[(4-butyl-7-hydroxy-2-oxo-2H-1-benzopyran-8-yl)methyl]isoleucine
N-[(4-butyl-7-hydroxy-2-oxo-2H-1-benzopyran-8-yl)methyl]isoleucine
Compound characteristics
| Compound ID: | Y042-8709 |
| Compound Name: | N-[(4-butyl-7-hydroxy-2-oxo-2H-1-benzopyran-8-yl)methyl]isoleucine |
| Molecular Weight: | 361.44 |
| Molecular Formula: | C20 H27 N O5 |
| Smiles: | CCCCC1=CC(=O)Oc2c1ccc(c2CN[C@H](C(O)=O)[C@H](C)CC)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.36 |
| logD: | -0.3353 |
| logSw: | -2.9721 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.467 |
| InChI Key: | DGCSYLIWTOPBBP-XIKOKIGWSA-N |