4-bromo-2-{[(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol
Chemical Structure Depiction of
4-bromo-2-{[(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol
4-bromo-2-{[(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol
Compound characteristics
Compound ID: | 1927-7412 |
Compound Name: | 4-bromo-2-{[(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol |
Molecular Weight: | 375.24 |
Molecular Formula: | C15 H11 Br N4 O S |
Smiles: | C(\c1cc(ccc1O)[Br])=N/n1c(c2ccccc2)nnc1S |
Stereo: | ACHIRAL |
logP: | 3.758 |
logD: | 2.7572 |
logSw: | -3.6189 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 50.627 |
InChI Key: | XUBOZKVQAQSWKI-UHFFFAOYSA-N |