N-{[6-(4-chlorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-4-cyanobenzamide
Chemical Structure Depiction of
N-{[6-(4-chlorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-4-cyanobenzamide
N-{[6-(4-chlorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-4-cyanobenzamide
Compound characteristics
| Compound ID: | S554-0282 |
| Compound Name: | N-{[6-(4-chlorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-4-cyanobenzamide |
| Molecular Weight: | 388.81 |
| Molecular Formula: | C20 H13 Cl N6 O |
| Smiles: | C(c1nnc2ccc(c3ccc(cc3)[Cl])nn12)NC(c1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8803 |
| logD: | 2.8803 |
| logSw: | -3.6643 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.843 |
| InChI Key: | LCTRULUOXKITDM-UHFFFAOYSA-N |