N-(4-ethoxyphenyl)-4-(3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carbothioamide
Chemical Structure Depiction of
N-(4-ethoxyphenyl)-4-(3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carbothioamide
N-(4-ethoxyphenyl)-4-(3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | C713-0236 |
| Compound Name: | N-(4-ethoxyphenyl)-4-(3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carbothioamide |
| Molecular Weight: | 459.57 |
| Molecular Formula: | C24 H25 N7 O S |
| Smiles: | CCOc1ccc(cc1)NC(N1CCN(CC1)c1ccc2nnc(c3ccccc3)n2n1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.5492 |
| logD: | 4.5492 |
| logSw: | -4.1035 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.143 |
| InChI Key: | INWUKCBQOKWRFZ-UHFFFAOYSA-N |