N-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-3-(3-methoxyphenyl)propanamide
Chemical Structure Depiction of
N-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-3-(3-methoxyphenyl)propanamide
N-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-3-(3-methoxyphenyl)propanamide
Compound characteristics
| Compound ID: | S554-0398 |
| Compound Name: | N-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-3-(3-methoxyphenyl)propanamide |
| Molecular Weight: | 405.43 |
| Molecular Formula: | C22 H20 F N5 O2 |
| Smiles: | COc1cccc(CCC(NCc2nnc3ccc(c4ccc(cc4)F)nn23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.0701 |
| logD: | 3.0701 |
| logSw: | -3.3904 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.117 |
| InChI Key: | ZZAGCPTVXJRHMI-UHFFFAOYSA-N |