N-(2,3-dimethylphenyl)-2-[(3-{2-[(4-methoxybenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2,3-dimethylphenyl)-2-[(3-{2-[(4-methoxybenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
N-(2,3-dimethylphenyl)-2-[(3-{2-[(4-methoxybenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | E551-0257 |
| Compound Name: | N-(2,3-dimethylphenyl)-2-[(3-{2-[(4-methoxybenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide |
| Molecular Weight: | 526.64 |
| Molecular Formula: | C24 H26 N6 O4 S2 |
| Smiles: | Cc1cccc(c1C)NC(CSc1ccc2nnc(CCNS(c3ccc(cc3)OC)(=O)=O)n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2075 |
| logD: | 3.2073 |
| logSw: | -3.5434 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.329 |
| InChI Key: | BTSAQLWIYZKJMM-UHFFFAOYSA-N |