N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | E551-0194 |
| Compound Name: | N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide |
| Molecular Weight: | 518.64 |
| Molecular Formula: | C20 H22 N8 O3 S3 |
| Smiles: | CCc1nnc(NC(CSc2ccc3nnc(CCNS(c4ccc(C)cc4)(=O)=O)n3n2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.6093 |
| logD: | 2.5527 |
| logSw: | -3.0523 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 121.524 |
| InChI Key: | OJLZEXXCUXKITB-UHFFFAOYSA-N |