N-(4-bromo-2,5-dimethylphenyl)-2-methyl-5-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
N-(4-bromo-2,5-dimethylphenyl)-2-methyl-5-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)benzene-1-sulfonamide
N-(4-bromo-2,5-dimethylphenyl)-2-methyl-5-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | J003-0219 |
| Compound Name: | N-(4-bromo-2,5-dimethylphenyl)-2-methyl-5-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)benzene-1-sulfonamide |
| Molecular Weight: | 486.39 |
| Molecular Formula: | C21 H20 Br N5 O2 S |
| Smiles: | Cc1cc(c(C)cc1NS(c1cc(ccc1C)c1ccc2nnc(C)n2n1)(=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.0813 |
| logD: | 2.7242 |
| logSw: | -4.2049 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.126 |
| InChI Key: | JBGRJNXIRSCAEO-UHFFFAOYSA-N |