methyl S-benzyl-N-[({4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-imidazol-2-yl}sulfanyl)acetyl]cysteinate
Chemical Structure Depiction of
methyl S-benzyl-N-[({4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-imidazol-2-yl}sulfanyl)acetyl]cysteinate
methyl S-benzyl-N-[({4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-imidazol-2-yl}sulfanyl)acetyl]cysteinate
Compound characteristics
| Compound ID: | 8018-7495 |
| Compound Name: | methyl S-benzyl-N-[({4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-imidazol-2-yl}sulfanyl)acetyl]cysteinate |
| Molecular Weight: | 453.64 |
| Molecular Formula: | C20 H27 N3 O3 S3 |
| Smiles: | Cc1c(CCSC)[nH]c(n1)SCC(NC(CSCc1ccccc1)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5711 |
| logD: | 1.8335 |
| logSw: | -2.7589 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.397 |
| InChI Key: | ROGIGTKNDMMQBW-KRWDZBQOSA-N |