N-[(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]-S-methyl-D-cysteine
Chemical Structure Depiction of
N-[(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]-S-methyl-D-cysteine
N-[(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]-S-methyl-D-cysteine
Compound characteristics
| Compound ID: | Y041-2227 |
| Compound Name: | N-[(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]-S-methyl-D-cysteine |
| Molecular Weight: | 385.82 |
| Molecular Formula: | C16 H16 Cl N O6 S |
| Smiles: | CC1=C(CC(N[C@H](CSC)C(O)=O)=O)C(=O)Oc2cc(c(cc12)[Cl])O |
| Stereo: | ABSOLUTE |
| logP: | 1.2762 |
| logD: | -3.0787 |
| logSw: | -2.6524 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.218 |
| InChI Key: | YGJKRIMDJSSHMO-NSHDSACASA-N |