N-[(3-bromophenyl)methyl]-3-[6-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-3-[6-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
N-[(3-bromophenyl)methyl]-3-[6-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
Compound characteristics
| Compound ID: | M454-0984 |
| Compound Name: | N-[(3-bromophenyl)methyl]-3-[6-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide |
| Molecular Weight: | 464.36 |
| Molecular Formula: | C23 H22 Br N5 O |
| Smiles: | Cc1ccc(cc1C)c1ccc2nnc(CCC(NCc3cccc(c3)[Br])=O)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 4.2087 |
| logD: | 4.2087 |
| logSw: | -4.2839 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.573 |
| InChI Key: | ZEBZUBCRRPFTBQ-UHFFFAOYSA-N |