methyl N-{[(1,3-benzothiazol-2-yl)sulfanyl]acetyl}-S-benzylcysteinate
Chemical Structure Depiction of
methyl N-{[(1,3-benzothiazol-2-yl)sulfanyl]acetyl}-S-benzylcysteinate
methyl N-{[(1,3-benzothiazol-2-yl)sulfanyl]acetyl}-S-benzylcysteinate
Compound characteristics
| Compound ID: | 8017-0984 |
| Compound Name: | methyl N-{[(1,3-benzothiazol-2-yl)sulfanyl]acetyl}-S-benzylcysteinate |
| Molecular Weight: | 432.58 |
| Molecular Formula: | C20 H20 N2 O3 S3 |
| Smiles: | COC(C(CSCc1ccccc1)NC(CSc1nc2ccccc2s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1044 |
| logD: | 4.1044 |
| logSw: | -4.2354 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.324 |
| InChI Key: | OCAIADAWHUKGSC-INIZCTEOSA-N |