methyl N-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]butanoyl}-S-benzylcysteinate
Chemical Structure Depiction of
methyl N-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]butanoyl}-S-benzylcysteinate
methyl N-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]butanoyl}-S-benzylcysteinate
Compound characteristics
| Compound ID: | 7618-0009 |
| Compound Name: | methyl N-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]butanoyl}-S-benzylcysteinate |
| Molecular Weight: | 426.58 |
| Molecular Formula: | C17 H22 N4 O3 S3 |
| Smiles: | CCC(C(NC(CSCc1ccccc1)C(=O)OC)=O)Sc1nnc(N)s1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6104 |
| logD: | 2.6104 |
| logSw: | -2.9351 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.119 |
| InChI Key: | LJAWLFODFCTBQI-UHFFFAOYSA-N |