ethyl {[5-(1-benzothiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[5-(1-benzothiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
ethyl {[5-(1-benzothiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | Y205-9000 |
| Compound Name: | ethyl {[5-(1-benzothiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 333.43 |
| Molecular Formula: | C15 H15 N3 O2 S2 |
| Smiles: | CCOC(CSc1nnc(c2csc3ccccc23)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1872 |
| logD: | 3.1872 |
| logSw: | -3.3073 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.228 |
| InChI Key: | PJECPXGIFPSRKZ-UHFFFAOYSA-N |