6-[3-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanamido]hexanoic acid
Chemical Structure Depiction of
6-[3-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanamido]hexanoic acid
6-[3-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanamido]hexanoic acid
Compound characteristics
| Compound ID: | Y041-1843 |
| Compound Name: | 6-[3-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanamido]hexanoic acid |
| Molecular Weight: | 395.84 |
| Molecular Formula: | C19 H22 Cl N O6 |
| Smiles: | CC1=C(CCC(NCCCCCC(O)=O)=O)C(=O)Oc2cc(c(cc12)[Cl])O |
| Stereo: | ACHIRAL |
| logP: | 2.0709 |
| logD: | -0.7573 |
| logSw: | -3.0161 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.405 |
| InChI Key: | WLLYVHHKZLABHB-UHFFFAOYSA-N |