N-{[(3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-L-tryptophan
Chemical Structure Depiction of
N-{[(3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-L-tryptophan
N-{[(3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-L-tryptophan
Compound characteristics
| Compound ID: | Y042-8546 |
| Compound Name: | N-{[(3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-L-tryptophan |
| Molecular Weight: | 504.58 |
| Molecular Formula: | C29 H32 N2 O6 |
| Smiles: | CCCCCCC1=C(C)c2ccc(cc2OC1=O)OCC(N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.7031 |
| logD: | 1.1125 |
| logSw: | -4.395 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.769 |
| InChI Key: | FIQIWURNDMHKGD-VWLOTQADSA-N |