S-benzyl-N-[5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophene-2-carbonyl]cysteine
Chemical Structure Depiction of
S-benzyl-N-[5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophene-2-carbonyl]cysteine
S-benzyl-N-[5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophene-2-carbonyl]cysteine
Compound characteristics
| Compound ID: | 8016-3986 |
| Compound Name: | S-benzyl-N-[5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophene-2-carbonyl]cysteine |
| Molecular Weight: | 403.52 |
| Molecular Formula: | C20 H21 N O4 S2 |
| Smiles: | CC(C)(C#Cc1ccc(C(NC(CSCc2ccccc2)C(O)=O)=O)s1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1028 |
| logD: | -1.1525 |
| logSw: | -3.2337 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 69.896 |
| InChI Key: | BIBJWGYBMHEEHX-INIZCTEOSA-N |