methyl N-{[(1,3-benzoxazol-2-yl)sulfanyl]acetyl}-S-benzylcysteinate
Chemical Structure Depiction of
methyl N-{[(1,3-benzoxazol-2-yl)sulfanyl]acetyl}-S-benzylcysteinate
methyl N-{[(1,3-benzoxazol-2-yl)sulfanyl]acetyl}-S-benzylcysteinate
Compound characteristics
| Compound ID: | 8017-0983 |
| Compound Name: | methyl N-{[(1,3-benzoxazol-2-yl)sulfanyl]acetyl}-S-benzylcysteinate |
| Molecular Weight: | 416.52 |
| Molecular Formula: | C20 H20 N2 O4 S2 |
| Smiles: | COC(C(CSCc1ccccc1)NC(CSc1nc2ccccc2o1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5704 |
| logD: | 3.5704 |
| logSw: | -3.7679 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.906 |
| InChI Key: | RXBFNJOIGJBWKP-INIZCTEOSA-N |