2-[6-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-[(3-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-[6-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-[(3-methoxyphenyl)methyl]acetamide
2-[6-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-[(3-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | F804-0268 |
| Compound Name: | 2-[6-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-[(3-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C21 H25 N5 O3 S |
| Smiles: | COc1cccc(CNC(CN2C(N3C(C=CC(=N3)SC3CCCCC3)=N2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.9438 |
| logD: | 3.9438 |
| logSw: | -4.0027 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.384 |
| InChI Key: | XPHRBJKMEXKEAV-UHFFFAOYSA-N |