N-[3-(diethylamino)propyl]-4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carbothioamide
Chemical Structure Depiction of
N-[3-(diethylamino)propyl]-4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carbothioamide
N-[3-(diethylamino)propyl]-4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | C713-0226 |
| Compound Name: | N-[3-(diethylamino)propyl]-4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carbothioamide |
| Molecular Weight: | 470.61 |
| Molecular Formula: | C23 H31 F N8 S |
| Smiles: | CCN(CC)CCCNC(N1CCN(CC1)c1ccc2nnc(c3ccc(cc3)F)n2n1)=S |
| Stereo: | ACHIRAL |
| logP: | 3.4688 |
| logD: | 0.8957 |
| logSw: | -3.604 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.866 |
| InChI Key: | SNRGZCJWBZHZQH-UHFFFAOYSA-N |