N-{[(3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}isoleucine
Chemical Structure Depiction of
N-{[(3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}isoleucine
N-{[(3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}isoleucine
Compound characteristics
| Compound ID: | D715-0513 |
| Compound Name: | N-{[(3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}isoleucine |
| Molecular Weight: | 437.49 |
| Molecular Formula: | C25 H27 N O6 |
| Smiles: | CC[C@@H](C)[C@@H](C(O)=O)NC(COc1ccc2C(C)=C(Cc3ccccc3)C(=O)Oc2c1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7254 |
| logD: | -0.8617 |
| logSw: | -3.3746 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.619 |
| InChI Key: | DMWOBBWCACNISE-CMJOXMDJSA-N |