N-{[6-(4-chlorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-4-methoxy-2-methylbenzamide
Chemical Structure Depiction of
N-{[6-(4-chlorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-4-methoxy-2-methylbenzamide
N-{[6-(4-chlorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-4-methoxy-2-methylbenzamide
Compound characteristics
| Compound ID: | S554-0235 |
| Compound Name: | N-{[6-(4-chlorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-4-methoxy-2-methylbenzamide |
| Molecular Weight: | 407.86 |
| Molecular Formula: | C21 H18 Cl N5 O2 |
| Smiles: | Cc1cc(ccc1C(NCc1nnc2ccc(c3ccc(cc3)[Cl])nn12)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.9235 |
| logD: | 3.9235 |
| logSw: | -4.4507 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.33 |
| InChI Key: | BSDQGZBCKHLPBV-UHFFFAOYSA-N |