N-(2,3-dimethylphenyl)-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-(2,3-dimethylphenyl)-2-[(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
N-(2,3-dimethylphenyl)-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: | E551-0138 |
Compound Name: | N-(2,3-dimethylphenyl)-2-[(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide |
Molecular Weight: | 510.64 |
Molecular Formula: | C24 H26 N6 O3 S2 |
Smiles: | Cc1ccc(cc1)S(NCCc1nnc2ccc(nn12)SCC(Nc1cccc(C)c1C)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 3.6485 |
logD: | 3.6481 |
logSw: | -3.7125 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 96.786 |
InChI Key: | VBVSBMRQCFFGMF-UHFFFAOYSA-N |