N-(5-fluoro-2-methylphenyl)-2-[3-oxo-6-(phenylsulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(5-fluoro-2-methylphenyl)-2-[3-oxo-6-(phenylsulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
N-(5-fluoro-2-methylphenyl)-2-[3-oxo-6-(phenylsulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | F804-0151 |
| Compound Name: | N-(5-fluoro-2-methylphenyl)-2-[3-oxo-6-(phenylsulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide |
| Molecular Weight: | 409.44 |
| Molecular Formula: | C20 H16 F N5 O2 S |
| Smiles: | Cc1ccc(cc1NC(CN1C(N2C(C=CC(=N2)Sc2ccccc2)=N1)=O)=O)F |
| Stereo: | ACHIRAL |
| logP: | 3.6041 |
| logD: | 3.604 |
| logSw: | -3.785 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.628 |
| InChI Key: | HMBYKJDLWDEBIK-UHFFFAOYSA-N |