S-methyl-N-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g][1]benzopyran-3-yl)propanoyl]-D-cysteine
Chemical Structure Depiction of
S-methyl-N-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g][1]benzopyran-3-yl)propanoyl]-D-cysteine
S-methyl-N-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g][1]benzopyran-3-yl)propanoyl]-D-cysteine
Compound characteristics
| Compound ID: | Y041-9948 |
| Compound Name: | S-methyl-N-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g][1]benzopyran-3-yl)propanoyl]-D-cysteine |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C23 H25 N O6 S |
| Smiles: | CC1=C(CCC(N[C@H](CSC)C(O)=O)=O)C(=O)Oc2cc3c(cc12)c1CCCCc1o3 |
| Stereo: | ABSOLUTE |
| logP: | 2.505 |
| logD: | -1.8499 |
| logSw: | -2.5962 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.786 |
| InChI Key: | KDMARFWNPXDZSG-KRWDZBQOSA-N |