N-{2-[(4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}isoleucine
Chemical Structure Depiction of
N-{2-[(4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}isoleucine
N-{2-[(4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}isoleucine
Compound characteristics
| Compound ID: | Y043-8506 |
| Compound Name: | N-{2-[(4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}isoleucine |
| Molecular Weight: | 417.5 |
| Molecular Formula: | C23 H31 N O6 |
| Smiles: | CCCCC1=CC(=O)Oc2c1ccc(c2C)OC(C)C(N[C@H](C(O)=O)[C@@H](C)CC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.13 |
| logD: | -0.4572 |
| logSw: | -3.4665 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.651 |
| InChI Key: | DJTNPIMWQHAAEA-UKEAJUSLSA-N |