N-(4-bromophenyl)-2-methyl-5-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-methyl-5-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)benzene-1-sulfonamide
N-(4-bromophenyl)-2-methyl-5-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | J003-0191 |
| Compound Name: | N-(4-bromophenyl)-2-methyl-5-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)benzene-1-sulfonamide |
| Molecular Weight: | 458.33 |
| Molecular Formula: | C19 H16 Br N5 O2 S |
| Smiles: | Cc1ccc(cc1S(Nc1ccc(cc1)[Br])(=O)=O)c1ccc2nnc(C)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 3.8018 |
| logD: | 2.4994 |
| logSw: | -3.9726 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.824 |
| InChI Key: | GKKHJJNOFNYUIA-UHFFFAOYSA-N |