N-[(7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl]isoleucine
Chemical Structure Depiction of
N-[(7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl]isoleucine
N-[(7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl]isoleucine
Compound characteristics
| Compound ID: | Y040-4102 |
| Compound Name: | N-[(7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl]isoleucine |
| Molecular Weight: | 319.36 |
| Molecular Formula: | C17 H21 N O5 |
| Smiles: | CC[C@H](C)[C@H](C(O)=O)NCc1c(ccc2C(C)=CC(=O)Oc12)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.9568 |
| logD: | -1.7385 |
| logSw: | -2.3714 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.467 |
| InChI Key: | DVPCIHZZWJUPQF-PSLIRLAXSA-N |