N-[(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]isoleucine
Chemical Structure Depiction of
N-[(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]isoleucine
N-[(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]isoleucine
Compound characteristics
| Compound ID: | Y041-2088 |
| Compound Name: | N-[(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]isoleucine |
| Molecular Weight: | 381.81 |
| Molecular Formula: | C18 H20 Cl N O6 |
| Smiles: | CC[C@H](C)[C@H](C(O)=O)NC(CC1=C(C)c2cc(c(cc2OC1=O)O)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7819 |
| logD: | -1.8053 |
| logSw: | -2.6901 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.94 |
| InChI Key: | ZZUQVRYNXNEOCB-BCTVWOGZSA-N |