N-{2-[(4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}glutamic acid
Chemical Structure Depiction of
N-{2-[(4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}glutamic acid
N-{2-[(4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}glutamic acid
Compound characteristics
| Compound ID: | Y040-8316 |
| Compound Name: | N-{2-[(4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}glutamic acid |
| Molecular Weight: | 433.46 |
| Molecular Formula: | C22 H27 N O8 |
| Smiles: | CCCCC1=CC(=O)Oc2c1ccc(c2C)OC(C)C(N[C@@H](CCC(O)=O)C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6038 |
| logD: | -2.3022 |
| logSw: | -2.4173 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.313 |
| InChI Key: | AHEAWSJEHSANGR-VYIIXAMBSA-N |