N-(3-ethylphenyl)-2-[3-oxo-6-(phenylsulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(3-ethylphenyl)-2-[3-oxo-6-(phenylsulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
N-(3-ethylphenyl)-2-[3-oxo-6-(phenylsulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | F804-0159 |
| Compound Name: | N-(3-ethylphenyl)-2-[3-oxo-6-(phenylsulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide |
| Molecular Weight: | 405.48 |
| Molecular Formula: | C21 H19 N5 O2 S |
| Smiles: | CCc1cccc(c1)NC(CN1C(N2C(C=CC(=N2)Sc2ccccc2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4722 |
| logD: | 4.4722 |
| logSw: | -4.2843 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.326 |
| InChI Key: | QYKLWPGMKNHJMN-UHFFFAOYSA-N |