N-benzyl-2-[6-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-benzyl-2-[6-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
N-benzyl-2-[6-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | F804-0264 |
| Compound Name: | N-benzyl-2-[6-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide |
| Molecular Weight: | 397.5 |
| Molecular Formula: | C20 H23 N5 O2 S |
| Smiles: | C1CCC(CC1)SC1C=CC2=NN(CC(NCc3ccccc3)=O)C(N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8465 |
| logD: | 3.8465 |
| logSw: | -3.936 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.84 |
| InChI Key: | MJRUBRWDQPULKF-UHFFFAOYSA-N |