2-bromo-4-{[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl}-6-methoxyphenol
Chemical Structure Depiction of
2-bromo-4-{[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl}-6-methoxyphenol
2-bromo-4-{[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl}-6-methoxyphenol
Compound characteristics
| Compound ID: | 3254-0258 |
| Compound Name: | 2-bromo-4-{[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl}-6-methoxyphenol |
| Molecular Weight: | 325.16 |
| Molecular Formula: | C12 H13 Br N4 O2 |
| Smiles: | Cc1nnc(C)n1/N=C\c1cc(c(c(c1)[Br])O)OC |
| Stereo: | ACHIRAL |
| logP: | 0.7761 |
| logD: | 0.7262 |
| logSw: | -1.0072 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.958 |
| InChI Key: | KHJQRLRAJWZNEE-NSIKDUERSA-N |