ethyl 3-[(5-acetamido-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate
Chemical Structure Depiction of
ethyl 3-[(5-acetamido-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate
ethyl 3-[(5-acetamido-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate
Compound characteristics
| Compound ID: | L150-1107 |
| Compound Name: | ethyl 3-[(5-acetamido-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate |
| Molecular Weight: | 258.3 |
| Molecular Formula: | C9 H14 N4 O3 S |
| Smiles: | CCOC(CCSc1nc(NC(C)=O)[nH]n1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4079 |
| logD: | 0.35 |
| logSw: | -1.7581 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.572 |
| InChI Key: | NHFSPJKGKCWTCQ-UHFFFAOYSA-N |