S-methyl-N-{[5-methyl-3-(4-methylphenyl)-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]acetyl}-D-cysteine
Chemical Structure Depiction of
S-methyl-N-{[5-methyl-3-(4-methylphenyl)-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]acetyl}-D-cysteine
S-methyl-N-{[5-methyl-3-(4-methylphenyl)-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]acetyl}-D-cysteine
Compound characteristics
| Compound ID: | Y041-1851 |
| Compound Name: | S-methyl-N-{[5-methyl-3-(4-methylphenyl)-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]acetyl}-D-cysteine |
| Molecular Weight: | 465.52 |
| Molecular Formula: | C25 H23 N O6 S |
| Smiles: | CC1=C(CC(N[C@H](CSC)C(O)=O)=O)C(=O)Oc2cc3c(cc12)c(co3)c1ccc(C)cc1 |
| Stereo: | ABSOLUTE |
| logP: | 3.31 |
| logD: | -1.0449 |
| logSw: | -3.505 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.958 |
| InChI Key: | KEHLBVJGSLAFMD-FQEVSTJZSA-N |