ethyl {[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
ethyl {[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 2219-0181 |
| Compound Name: | ethyl {[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 418.31 |
| Molecular Formula: | C18 H16 Br N3 O2 S |
| Smiles: | CCOC(CSc1nnc(c2ccc(cc2)[Br])n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.711 |
| logD: | 4.711 |
| logSw: | -4.3709 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.143 |
| InChI Key: | QYBNFJMFBDXRRQ-UHFFFAOYSA-N |