ethyl [(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
ethyl [(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | Y020-0183 |
| Compound Name: | ethyl [(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate |
| Molecular Weight: | 263.32 |
| Molecular Formula: | C12 H13 N3 O2 S |
| Smiles: | CCOC(CSc1nnc(c2ccccc2)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9668 |
| logD: | 0.7751 |
| logSw: | -2.319 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.904 |
| InChI Key: | WJKCWBDVBACIIN-UHFFFAOYSA-N |