N-[(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]-D-alanine
Chemical Structure Depiction of
N-[(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]-D-alanine
N-[(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]-D-alanine
Compound characteristics
| Compound ID: | Y040-4418 |
| Compound Name: | N-[(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]-D-alanine |
| Molecular Weight: | 339.73 |
| Molecular Formula: | C15 H14 Cl N O6 |
| Smiles: | CC1=C(CC(N[C@H](C)C(O)=O)=O)C(=O)Oc2cc(c(cc12)[Cl])O |
| Stereo: | ABSOLUTE |
| logP: | 1.1544 |
| logD: | -2.4942 |
| logSw: | -2.5266 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.751 |
| InChI Key: | USHPDUYFIHIJJY-ZETCQYMHSA-N |