N-{2-[(3,4,8-trimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}isoleucine
Chemical Structure Depiction of
N-{2-[(3,4,8-trimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}isoleucine
N-{2-[(3,4,8-trimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}isoleucine
Compound characteristics
| Compound ID: | Y042-8526 |
| Compound Name: | N-{2-[(3,4,8-trimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}isoleucine |
| Molecular Weight: | 389.45 |
| Molecular Formula: | C21 H27 N O6 |
| Smiles: | CC[C@@H](C)[C@@H](C(O)=O)NC(C(C)Oc1ccc2C(C)=C(C)C(=O)Oc2c1C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.246 |
| logD: | -1.3412 |
| logSw: | -2.9697 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.165 |
| InChI Key: | VGXCIBPQEKJWIO-OWTQXQQYSA-N |