ethyl {[5-(4-bromophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[5-(4-bromophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
ethyl {[5-(4-bromophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | Y205-7301 |
| Compound Name: | ethyl {[5-(4-bromophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 370.27 |
| Molecular Formula: | C14 H16 Br N3 O2 S |
| Smiles: | CCn1c(c2ccc(cc2)[Br])nnc1SCC(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 3.8744 |
| logD: | 3.8743 |
| logSw: | -3.8598 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.396 |
| InChI Key: | JOKGDIBHVMQOAG-UHFFFAOYSA-N |