N-{2-[(4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}valine
Chemical Structure Depiction of
N-{2-[(4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}valine
N-{2-[(4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}valine
Compound characteristics
| Compound ID: | Y042-8497 |
| Compound Name: | N-{2-[(4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}valine |
| Molecular Weight: | 403.47 |
| Molecular Formula: | C22 H29 N O6 |
| Smiles: | CCCCC1=CC(=O)Oc2c1ccc(c2C)OC(C)C(N[C@@H](C(C)C)C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6503 |
| logD: | -0.9369 |
| logSw: | -3.2111 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.651 |
| InChI Key: | WUXNPQVTAAWSGM-PKDNWHCCSA-N |