methyl ({4-ethyl-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
methyl ({4-ethyl-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
methyl ({4-ethyl-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | Y206-5791 |
| Compound Name: | methyl ({4-ethyl-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 297.4 |
| Molecular Formula: | C12 H15 N3 O2 S2 |
| Smiles: | CCn1c(Cc2cccs2)nnc1SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.6875 |
| logD: | 1.6872 |
| logSw: | -2.1128 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.811 |
| InChI Key: | LNROTDXBKJBIQD-UHFFFAOYSA-N |