ethyl 2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate
Chemical Structure Depiction of
ethyl 2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate
ethyl 2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate
Compound characteristics
| Compound ID: | C663-0732 |
| Compound Name: | ethyl 2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate |
| Molecular Weight: | 429.56 |
| Molecular Formula: | C20 H23 N5 O2 S2 |
| Smiles: | CCOC(C(C)Sc1nnc(CSc2nc(C)cc(C)n2)n1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6046 |
| logD: | 3.604 |
| logSw: | -3.6475 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.62 |
| InChI Key: | FWRLUCKBQRVGDD-HNNXBMFYSA-N |