2-[2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetamido]butanoic acid
Chemical Structure Depiction of
2-[2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetamido]butanoic acid
2-[2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetamido]butanoic acid
Compound characteristics
| Compound ID: | Y040-4354 |
| Compound Name: | 2-[2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetamido]butanoic acid |
| Molecular Weight: | 353.76 |
| Molecular Formula: | C16 H16 Cl N O6 |
| Smiles: | CCC(C(O)=O)NC(CC1=C(C)c2cc(c(cc2OC1=O)O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4279 |
| logD: | -2.19 |
| logSw: | -2.5559 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.218 |
| InChI Key: | TWMYLEWXZNZDAE-NSHDSACASA-N |