methyl S-benzyl-N-(2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}butanoyl)cysteinate
Chemical Structure Depiction of
methyl S-benzyl-N-(2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}butanoyl)cysteinate
methyl S-benzyl-N-(2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}butanoyl)cysteinate
Compound characteristics
| Compound ID: | 7618-0010 |
| Compound Name: | methyl S-benzyl-N-(2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}butanoyl)cysteinate |
| Molecular Weight: | 457.65 |
| Molecular Formula: | C18 H23 N3 O3 S4 |
| Smiles: | CCC(C(NC(CSCc1ccccc1)C(=O)OC)=O)Sc1nc(ns1)SC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3785 |
| logD: | 4.3785 |
| logSw: | -4.3275 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.357 |
| InChI Key: | CABIYXNLKYUSDS-UHFFFAOYSA-N |