methyl {[5-(4-ethyl-5-methylthiophen-3-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[5-(4-ethyl-5-methylthiophen-3-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[5-(4-ethyl-5-methylthiophen-3-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | Y205-7436 |
| Compound Name: | methyl {[5-(4-ethyl-5-methylthiophen-3-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 339.48 |
| Molecular Formula: | C15 H21 N3 O2 S2 |
| Smiles: | CCc1c(csc1C)c1nnc(n1C(C)C)SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.5154 |
| logD: | 3.4589 |
| logSw: | -3.6549 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.185 |
| InChI Key: | AFOYTIQVDFJQNF-UHFFFAOYSA-N |