ethyl {[5-(4,5-dimethylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[5-(4,5-dimethylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
ethyl {[5-(4,5-dimethylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | Y205-9633 |
| Compound Name: | ethyl {[5-(4,5-dimethylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 311.42 |
| Molecular Formula: | C13 H17 N3 O2 S2 |
| Smiles: | CCOC(CSc1nnc(c2csc(C)c2C)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6953 |
| logD: | 2.6836 |
| logSw: | -2.7916 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.499 |
| InChI Key: | FNYBRJTVUTYYGD-UHFFFAOYSA-N |