N-{[6-(4-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}isoquinoline-1-carboxamide
Chemical Structure Depiction of
N-{[6-(4-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}isoquinoline-1-carboxamide
N-{[6-(4-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}isoquinoline-1-carboxamide
Compound characteristics
| Compound ID: | S554-0712 |
| Compound Name: | N-{[6-(4-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}isoquinoline-1-carboxamide |
| Molecular Weight: | 410.43 |
| Molecular Formula: | C23 H18 N6 O2 |
| Smiles: | COc1ccc(cc1)c1ccc2nnc(CNC(c3c4ccccc4ccn3)=O)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 2.7715 |
| logD: | 2.7715 |
| logSw: | -3.0837 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.877 |
| InChI Key: | PUMKHDYQWKQWMT-UHFFFAOYSA-N |