methyl {2-[(1-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetamido}(phenyl)acetate
Chemical Structure Depiction of
methyl {2-[(1-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetamido}(phenyl)acetate
methyl {2-[(1-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetamido}(phenyl)acetate
Compound characteristics
| Compound ID: | 8016-4657 |
| Compound Name: | methyl {2-[(1-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetamido}(phenyl)acetate |
| Molecular Weight: | 321.36 |
| Molecular Formula: | C13 H15 N5 O3 S |
| Smiles: | COC(C(c1ccccc1)NC(CSc1ncn(N)n1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.1384 |
| logD: | -0.1384 |
| logSw: | -2.0563 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.012 |
| InChI Key: | RBVRTLGXTVCCCF-LLVKDONJSA-N |