N-[2-(6-{[(2,5-dimethylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-4-methoxybenzene-1-sulfonamide
Chemical Structure Depiction of
N-[2-(6-{[(2,5-dimethylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-4-methoxybenzene-1-sulfonamide
N-[2-(6-{[(2,5-dimethylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-4-methoxybenzene-1-sulfonamide
Compound characteristics
| Compound ID: | E551-0327 |
| Compound Name: | N-[2-(6-{[(2,5-dimethylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-4-methoxybenzene-1-sulfonamide |
| Molecular Weight: | 483.61 |
| Molecular Formula: | C23 H25 N5 O3 S2 |
| Smiles: | Cc1ccc(C)c(CSc2ccc3nnc(CCNS(c4ccc(cc4)OC)(=O)=O)n3n2)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.4066 |
| logD: | 4.4064 |
| logSw: | -4.1968 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.878 |
| InChI Key: | IJCAFQHMBFAVDB-UHFFFAOYSA-N |