N-[4-(methylsulfanyl)phenyl]-4-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazine-1-carboxamide
Chemical Structure Depiction of
N-[4-(methylsulfanyl)phenyl]-4-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazine-1-carboxamide
N-[4-(methylsulfanyl)phenyl]-4-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazine-1-carboxamide
Compound characteristics
| Compound ID: | T473-0444 |
| Compound Name: | N-[4-(methylsulfanyl)phenyl]-4-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazine-1-carboxamide |
| Molecular Weight: | 383.47 |
| Molecular Formula: | C18 H21 N7 O S |
| Smiles: | Cc1nnc2cc(cnn12)N1CCN(CC1)C(Nc1ccc(cc1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.659 |
| logD: | 1.6589 |
| logSw: | -2.4731 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.399 |
| InChI Key: | FYLHKRRMEKDWGQ-UHFFFAOYSA-N |