methyl {[4-ethyl-5-(5-ethylthiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[4-ethyl-5-(5-ethylthiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[4-ethyl-5-(5-ethylthiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | Y205-7445 |
| Compound Name: | methyl {[4-ethyl-5-(5-ethylthiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 311.42 |
| Molecular Formula: | C13 H17 N3 O2 S2 |
| Smiles: | CCc1cc(cs1)c1nnc(n1CC)SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.8651 |
| logD: | 2.8623 |
| logSw: | -3.0671 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.834 |
| InChI Key: | QHHGVBMNNQSZCV-UHFFFAOYSA-N |