N-{[6-(4-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{[6-(4-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide
N-{[6-(4-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | S554-0749 |
| Compound Name: | N-{[6-(4-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 403.4 |
| Molecular Formula: | C21 H17 N5 O4 |
| Smiles: | COc1ccc(cc1)c1ccc2nnc(CNC(c3ccc4c(c3)OCO4)=O)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 2.536 |
| logD: | 2.536 |
| logSw: | -2.9587 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.446 |
| InChI Key: | XBCOWLUSJPRYPR-UHFFFAOYSA-N |