N-{[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}isoleucine
Chemical Structure Depiction of
N-{[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}isoleucine
N-{[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}isoleucine
Compound characteristics
| Compound ID: | Y043-5802 |
| Compound Name: | N-{[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}isoleucine |
| Molecular Weight: | 347.37 |
| Molecular Formula: | C18 H21 N O6 |
| Smiles: | CC[C@@H](C)[C@@H](C(O)=O)NC(COc1ccc2C(C)=CC(=O)Oc2c1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.7651 |
| logD: | -2.822 |
| logSw: | -2.396 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.377 |
| InChI Key: | DTHHZOZRIKDHGM-QGHHPUGFSA-N |