N-(4-bromo-3,5-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-3,5-dimethylphenyl)-2-methyl-5-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)benzene-1-sulfonamide
N-(4-bromo-3,5-dimethylphenyl)-2-methyl-5-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | J003-0220 |
| Compound Name: | N-(4-bromo-3,5-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: | Cc1ccc(cc1S(Nc1cc(C)c(c(C)c1)[Br])(=O)=O)c1ccc2nnc(C)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 4.4249 |
| logD: | 3.4578 |
| logSw: | -4.2904 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.824 |
| InChI Key: | KBYVXTCAMYAADB-UHFFFAOYSA-N |