N-[(4-butoxyphenyl)methyl]-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(4-butoxyphenyl)methyl]-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
N-[(4-butoxyphenyl)methyl]-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | F707-0231 |
| Compound Name: | N-[(4-butoxyphenyl)methyl]-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide |
| Molecular Weight: | 422.53 |
| Molecular Formula: | C23 H30 N6 O2 |
| Smiles: | CCCCOc1ccc(CNC(C2CCN(CC2)c2ccc3nnc(C)n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7701 |
| logD: | 2.7701 |
| logSw: | -2.9248 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.193 |
| InChI Key: | HKUBRVPAXMSDHC-UHFFFAOYSA-N |