1-acetyl-N-{[6-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}piperidine-4-carboxamide
Chemical Structure Depiction of
1-acetyl-N-{[6-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}piperidine-4-carboxamide
1-acetyl-N-{[6-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | S554-0895 |
| Compound Name: | 1-acetyl-N-{[6-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}piperidine-4-carboxamide |
| Molecular Weight: | 406.49 |
| Molecular Formula: | C22 H26 N6 O2 |
| Smiles: | CC(N1CCC(CC1)C(NCc1nnc2ccc(c3ccc(C)c(C)c3)nn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7638 |
| logD: | 1.7638 |
| logSw: | -2.1385 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.174 |
| InChI Key: | ICWIZCYHPKCHQE-UHFFFAOYSA-N |