N-[2-(6-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-[2-(6-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-4-methylbenzene-1-sulfonamide
N-[2-(6-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | E551-0131 |
| Compound Name: | N-[2-(6-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 508.62 |
| Molecular Formula: | C24 H24 N6 O3 S2 |
| Smiles: | Cc1ccc(cc1)S(NCCc1nnc2ccc(nn12)SCC(N1CCc2ccccc12)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1171 |
| logD: | 3.1166 |
| logSw: | -3.5703 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.757 |
| InChI Key: | DUVGHCSQKIGEFB-UHFFFAOYSA-N |