6-[2-(5-hydroxy-4,7-dimethyl-2-oxo-2H-1-benzopyran-3-yl)acetamido]hexanoic acid
Chemical Structure Depiction of
6-[2-(5-hydroxy-4,7-dimethyl-2-oxo-2H-1-benzopyran-3-yl)acetamido]hexanoic acid
6-[2-(5-hydroxy-4,7-dimethyl-2-oxo-2H-1-benzopyran-3-yl)acetamido]hexanoic acid
Compound characteristics
| Compound ID: | Y041-2085 |
| Compound Name: | 6-[2-(5-hydroxy-4,7-dimethyl-2-oxo-2H-1-benzopyran-3-yl)acetamido]hexanoic acid |
| Molecular Weight: | 361.39 |
| Molecular Formula: | C19 H23 N O6 |
| Smiles: | CC1=C(CC(NCCCCCC(O)=O)=O)C(=O)Oc2cc(C)cc(c12)O |
| Stereo: | ACHIRAL |
| logP: | 1.7459 |
| logD: | -1.0823 |
| logSw: | -1.7661 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.405 |
| InChI Key: | WHCQSOWJJSADFA-UHFFFAOYSA-N |