N-(4-fluorophenyl)-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-(4-fluorophenyl)-2-[(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
N-(4-fluorophenyl)-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: | E551-0147 |
| Compound Name: | N-(4-fluorophenyl)-2-[(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide |
| Molecular Weight: | 500.57 |
| Molecular Formula: | C22 H21 F N6 O3 S2 |
| Smiles: | Cc1ccc(cc1)S(NCCc1nnc2ccc(nn12)SCC(Nc1ccc(cc1)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0471 |
| logD: | 3.0466 |
| logSw: | -3.546 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.483 |
| InChI Key: | DVQDLBPACJLKQU-UHFFFAOYSA-N |