2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanoic acid
Chemical Structure Depiction of
2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanoic acid
2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanoic acid
Compound characteristics
| Compound ID: | 8016-3324 |
| Compound Name: | 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanoic acid |
| Molecular Weight: | 264.3 |
| Molecular Formula: | C11 H12 N4 O2 S |
| Smiles: | CC(C(O)=O)Sc1nnc(c2ccccc2)n1N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0161 |
| logD: | -2.0389 |
| logSw: | -1.8674 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.819 |
| InChI Key: | JUEXDGGDYIIDEM-ZETCQYMHSA-N |