N-{[6-(4-chlorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2,4-dimethylbenzamide
Chemical Structure Depiction of
N-{[6-(4-chlorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2,4-dimethylbenzamide
N-{[6-(4-chlorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2,4-dimethylbenzamide
Compound characteristics
| Compound ID: | S554-0194 |
| Compound Name: | N-{[6-(4-chlorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2,4-dimethylbenzamide |
| Molecular Weight: | 391.86 |
| Molecular Formula: | C21 H18 Cl N5 O |
| Smiles: | Cc1ccc(C(NCc2nnc3ccc(c4ccc(cc4)[Cl])nn23)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.3767 |
| logD: | 4.3766 |
| logSw: | -4.5625 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.787 |
| InChI Key: | IPJFBPIDCQBGEE-UHFFFAOYSA-N |