ethyl ({4-ethyl-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({4-ethyl-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
ethyl ({4-ethyl-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | Y206-0784 |
| Compound Name: | ethyl ({4-ethyl-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 311.42 |
| Molecular Formula: | C13 H17 N3 O2 S2 |
| Smiles: | CCn1c(Cc2cccs2)nnc1SCC(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 2.2787 |
| logD: | 2.2783 |
| logSw: | -2.4098 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.39 |
| InChI Key: | MSJOSKNKTLMWRK-UHFFFAOYSA-N |