N-(2-{6-[(cyanomethyl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}ethyl)-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-(2-{6-[(cyanomethyl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}ethyl)-4-methylbenzene-1-sulfonamide
N-(2-{6-[(cyanomethyl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}ethyl)-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | E551-0228 |
| Compound Name: | N-(2-{6-[(cyanomethyl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}ethyl)-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 388.47 |
| Molecular Formula: | C16 H16 N6 O2 S2 |
| Smiles: | Cc1ccc(cc1)S(NCCc1nnc2ccc(nn12)SCC#N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6065 |
| logD: | 1.6061 |
| logSw: | -2.6431 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.097 |
| InChI Key: | VQKQHYJFBFAWMQ-UHFFFAOYSA-N |