4-bromo-3-{[(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol
Chemical Structure Depiction of
4-bromo-3-{[(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol
4-bromo-3-{[(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol
Compound characteristics
| Compound ID: | Y503-4091 |
| Compound Name: | 4-bromo-3-{[(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol |
| Molecular Weight: | 466.31 |
| Molecular Formula: | C16 H16 Br N7 O3 S |
| Smiles: | Cc1c(c(C)n(CSc2nnc(C)n2/N=C/c2cc(ccc2[Br])O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.1033 |
| logD: | 2.0998 |
| logSw: | -2.1303 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.46 |
| InChI Key: | USOKNPGPWBRLAN-UHFFFAOYSA-N |