N-{[6-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-3-methylthiophene-2-carboxamide
Chemical Structure Depiction of
N-{[6-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-3-methylthiophene-2-carboxamide
N-{[6-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-3-methylthiophene-2-carboxamide
Compound characteristics
| Compound ID: | S554-0846 |
| Compound Name: | N-{[6-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-3-methylthiophene-2-carboxamide |
| Molecular Weight: | 377.47 |
| Molecular Formula: | C20 H19 N5 O S |
| Smiles: | Cc1ccc(cc1C)c1ccc2nnc(CNC(c3c(C)ccs3)=O)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 3.824 |
| logD: | 3.824 |
| logSw: | -3.9355 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.805 |
| InChI Key: | JZOIGTPMWGMHST-UHFFFAOYSA-N |