S-benzyl-N-[4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoyl]cysteine
Chemical Structure Depiction of
S-benzyl-N-[4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoyl]cysteine
S-benzyl-N-[4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoyl]cysteine
Compound characteristics
| Compound ID: | 8015-7154 |
| Compound Name: | S-benzyl-N-[4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoyl]cysteine |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C22 H23 N O4 S |
| Smiles: | CC(C)(C#Cc1ccc(cc1)C(NC(CSCc1ccccc1)C(O)=O)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7861 |
| logD: | -1.6206 |
| logSw: | -3.1184 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 68.878 |
| InChI Key: | DDVADGNCURMPKL-IBGZPJMESA-N |