ethyl 4-{[(3-{2-[(benzenesulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{[(3-{2-[(benzenesulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetyl}piperazine-1-carboxylate
ethyl 4-{[(3-{2-[(benzenesulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | E551-0010 |
| Compound Name: | ethyl 4-{[(3-{2-[(benzenesulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetyl}piperazine-1-carboxylate |
| Molecular Weight: | 533.63 |
| Molecular Formula: | C22 H27 N7 O5 S2 |
| Smiles: | CCOC(N1CCN(CC1)C(CSc1ccc2nnc(CCNS(c3ccccc3)(=O)=O)n2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2102 |
| logD: | 1.2098 |
| logSw: | -2.4045 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 113.507 |
| InChI Key: | VROQPZWBWMDLPP-UHFFFAOYSA-N |