2-bromo-4-nitro-6-{[(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol
Chemical Structure Depiction of
2-bromo-4-nitro-6-{[(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol
2-bromo-4-nitro-6-{[(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol
Compound characteristics
| Compound ID: | 8007-0789 |
| Compound Name: | 2-bromo-4-nitro-6-{[(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol |
| Molecular Weight: | 420.24 |
| Molecular Formula: | C15 H10 Br N5 O3 S |
| Smiles: | C(\c1cc(cc(c1O)[Br])[N+]([O-])=O)=N/n1c(c2ccccc2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 3.8136 |
| logD: | 0.3851 |
| logSw: | -3.9803 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.939 |
| InChI Key: | UVQZGPPDBVHAND-UHFFFAOYSA-N |