N-(4-bromophenyl)-2-[(3-{2-[(4-methoxybenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-[(3-{2-[(4-methoxybenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
N-(4-bromophenyl)-2-[(3-{2-[(4-methoxybenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | E551-0269 |
| Compound Name: | N-(4-bromophenyl)-2-[(3-{2-[(4-methoxybenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide |
| Molecular Weight: | 577.48 |
| Molecular Formula: | C22 H21 Br N6 O4 S2 |
| Smiles: | COc1ccc(cc1)S(NCCc1nnc2ccc(nn12)SCC(Nc1ccc(cc1)[Br])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4109 |
| logD: | 3.4107 |
| logSw: | -3.8677 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.027 |
| InChI Key: | MCICAMMCKMAMBN-UHFFFAOYSA-N |